K781-1432 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K781-1432 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K781-1432 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-chlorobenzoyl)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 K781-1432
N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-chlorobenzoyl)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

K781-1432

Molecular Formula

C34H33ClN4O3S (C34 H33 ClN4 O3 S)

Compound Name

N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(c(cccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCSCc1ccccc1

InChI

InChI=1S/C34H33ClN4O3S/c35-28-10-5-4-9-27(28)34(42)37-29-18-25(33(41)36-15-16-43-22-23-7-2-1-3-8-23)13-14-31(29)38-19-24-17-26(21-38)30-11-6-12-32(40)39(30)20-24/h1-14,18,24,26H,15-17,19-22H2,(H,36,41)(H,37,42)

InChI Key

JELSRVYSPYYDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-5.75

Polar Surface Area

65.737

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K781-1432 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K781-1432 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K781-1432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1432
  • 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 K781-1432 available by request