K623-0036 Screening compound: diethyl 2-({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)malonate

K623-0036 Screening compound: diethyl 2-({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)malonate
K623-0036 Screening compound: diethyl 2-({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)malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0036
diethyl 2-({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)malonate

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

K623-0036

Molecular Formula

C35H40N4O10 (C35 H40 N4 O10)

Compound Name

diethyl 2-({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)malonate

IUPAC name

13-diethyl 2-[(4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-(345-trimethoxybenzamido)phenyl)formamido]propanedioate

SMILES

CCOC(C(C(OCC)=O)NC(c(cc1)cc(NC(c(cc2OC)cc(OC)c2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C35H40N4O10/c1-6-48-34(43)30(35(44)49-7-2)37-32(41)21-11-12-26(38-17-20-13-23(19-38)25-9-8-10-29(40)39(25)18-20)24(14-21)36-33(42)22-15-27(45-3)31(47-5)28(16-22)46-4/h8-12,14-16,20,23,30H,6-7,13,17-19H2,1-5H3,(H,36,42)(H,37,41)

InChI Key

OKNQXHFGGQBNCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.72

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.75

Polar Surface Area

130.005

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

K623-0036 in Drug Discovery

Included in Screening Libraries

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 K623-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0036?
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What is the minimum amount of K623-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0036
  • 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 K623-0036 available by request