K781-0343 Screening compound: ethyl 1-[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate

K781-0343 Screening compound: ethyl 1-[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate
K781-0343 Screening compound: ethyl 1-[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0343
ethyl 1-[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate

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

K781-0343

Molecular Formula

C37H44N4O5 (C37 H44 N4 O5)

Compound Name

ethyl 1-[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-[3-(4-tert-butylbenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)cc(NC(c2ccc(C(C)(C)C)cc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C37H44N4O5/c1-5-46-36(45)26-15-17-39(18-16-26)35(44)27-11-14-32(30(20-27)38-34(43)25-9-12-29(13-10-25)37(2,3)4)40-21-24-19-28(23-40)31-7-6-8-33(42)41(31)22-24/h6-14,20,24,26,28H,5,15-19,21-23H2,1-4H3,(H,38,43)

InChI Key

IEIXEEHDVDXBID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.947

Distribution Coefficient, logD

5.898

Water Solubility, LogSw

-5.45

Polar Surface Area

78.884

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.90

K781-0343 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0343?
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What is the minimum amount of K781-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0343
  • 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 K781-0343 available by request