K623-0124 Screening compound: dimethyl 5-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl}amino)isophthalate

K623-0124 Screening compound: dimethyl 5-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl}amino)isophthalate
K623-0124 Screening compound: dimethyl 5-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0124
dimethyl 5-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl}amino)isophthalate

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

K623-0124

Molecular Formula

C38H38N4O10 (C38 H38 N4 O10)

Compound Name

dimethyl 5-({4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl}amino)isophthalate

IUPAC name

13-dimethyl 5-(4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-(345-trimethoxybenzamido)benzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cc2)cc(NC(c(cc3OC)cc(OC)c3OC)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C38H38N4O10/c1-48-31-16-23(17-32(49-2)34(31)50-3)36(45)40-28-15-22(35(44)39-27-13-24(37(46)51-4)12-25(14-27)38(47)52-5)9-10-30(28)41-18-21-11-26(20-41)29-7-6-8-33(43)42(29)19-21/h6-10,12-17,21,26H,11,18-20H2,1-5H3,(H,39,44)(H,40,45)

InChI Key

ITJIEZSUUWCCQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

710.74

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

5.485

Water Solubility, LogSw

-5.47

Polar Surface Area

129.899

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.90

K623-0124 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

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

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

References: we are preparing a list of scientific research reports with K623-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0124?
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What is the minimum amount of K623-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0124
  • 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 K623-0124 available by request