K623-0359 Screening compound: methyl 2-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}amino)benzoate

K623-0359 Screening compound: methyl 2-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}amino)benzoate
K623-0359 Screening compound: methyl 2-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0359
methyl 2-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}amino)benzoate

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

K623-0359

Molecular Formula

C31H28N4O5S (C31 H28 N4 O5 S)

Compound Name

methyl 2-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}amino)benzoate

IUPAC name

methyl 2-(4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-(thiophene-2-amido)benzamido)benzoate

SMILES

COC(c(cccc1)c1NC(c(cc1)cc(NC(c2cccs2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C31H28N4O5S/c1-40-31(39)22-6-2-3-7-23(22)32-29(37)20-11-12-26(24(15-20)33-30(38)27-9-5-13-41-27)34-16-19-14-21(18-34)25-8-4-10-28(36)35(25)17-19/h2-13,15,19,21H,14,16-18H2,1H3,(H,32,37)(H,33,38)

InChI Key

WLYSZQHRFZYLIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.76

Polar Surface Area

86.068

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

K623-0359 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0359?
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What is the minimum amount of K623-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0359
  • 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 K623-0359 available by request