K623-0061 Screening compound: N~1~-(3-chlorobenzyl)-3-[(4-fluorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0061 Screening compound: N~1~-(3-chlorobenzyl)-3-[(4-fluorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0061 Screening compound: N~1~-(3-chlorobenzyl)-3-[(4-fluorobenzoyl)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 K623-0061
N~1~-(3-chlorobenzyl)-3-[(4-fluorobenzoyl)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

K623-0061

Molecular Formula

C32H28ClFN4O3 (C32 H28 ClFN4 O3)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-3-(4-fluorobenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

O=C(c(cc1)cc(NC(c(cc2)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCc1cccc(Cl)c1

InChI

InChI=1S/C32H28ClFN4O3/c33-25-4-1-3-20(14-25)16-35-31(40)23-9-12-29(27(15-23)36-32(41)22-7-10-26(34)11-8-22)37-17-21-13-24(19-37)28-5-2-6-30(39)38(28)18-21/h1-12,14-15,21,24H,13,16-19H2,(H,35,40)(H,36,41)

InChI Key

CCABWIUEJANFMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.635

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-6.00

Polar Surface Area

65.896

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

K623-0061 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0061?
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What is the minimum amount of K623-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0061
  • 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 K623-0061 available by request