K781-1747 Screening compound: ethyl 4-[3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

K781-1747 Screening compound: ethyl 4-[3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
K781-1747 Screening compound: ethyl 4-[3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1747
ethyl 4-[3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-1747

Molecular Formula

C35H35N5O7 (C35 H35 N5 O7)

Compound Name

ethyl 4-[3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-(2-oxo-2H-chromene-3-amido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C35H35N5O7/c1-2-46-35(45)38-14-12-37(13-15-38)33(43)24-10-11-29(39-19-22-16-25(21-39)28-7-5-9-31(41)40(28)20-22)27(18-24)36-32(42)26-17-23-6-3-4-8-30(23)47-34(26)44/h3-11,17-18,22,25H,2,12-16,19-21H2,1H3,(H,36,42)

InChI Key

GHYKMTOBQMMYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.94

Polar Surface Area

101.832

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.30

K781-1747 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1747?
Check Price and Availability of K781-1747, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1747
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K781-1747 available by request