K781-1503 Screening compound: N~1~-(sec-butyl)-3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K781-1503 Screening compound: N~1~-(sec-butyl)-3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K781-1503 Screening compound: N~1~-(sec-butyl)-3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1503
N~1~-(sec-butyl)-3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K781-1503

Molecular Formula

C33H40N4O3 (C33 H40 N4 O3)

Compound Name

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

IUPAC name

N-(butan-2-yl)-3-(4-tert-butylbenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

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

InChI

InChI=1S/C33H40N4O3/c1-6-21(2)34-32(40)24-12-15-29(27(17-24)35-31(39)23-10-13-26(14-11-23)33(3,4)5)36-18-22-16-25(20-36)28-8-7-9-30(38)37(28)19-22/h7-15,17,21-22,25H,6,16,18-20H2,1-5H3,(H,34,40)(H,35,39)

InChI Key

NJJCFOSIDILNSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.983

Distribution Coefficient, logD

5.775

Water Solubility, LogSw

-5.42

Polar Surface Area

65.609

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.40

K781-1503 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1503?
Check Price and Availability of K781-1503, 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 K781-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1503
  • 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 K781-1503 available by request