C614-6145 Screening compound: 1,3-dimethyl 5-(3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamido)benzene-1,3-dicarboxylate

C614-6145 Screening compound: 1,3-dimethyl 5-(3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamido)benzene-1,3-dicarboxylate
C614-6145 Screening compound: 1,3-dimethyl 5-(3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6145
1,3-dimethyl 5-(3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamido)benzene-1,3-dicarboxylate

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

C614-6145

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

1,3-dimethyl 5-(3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(3-{3-propyl-3H-imidazo[45-b]pyridin-2-yl}propanamido)benzene-13-dicarboxylate

SMILES

CCCn1c(nccc2)c2nc1CCC(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C22H24N4O5/c1-4-10-26-18(25-17-6-5-9-23-20(17)26)7-8-19(27)24-16-12-14(21(28)30-2)11-15(13-16)22(29)31-3/h5-6,9,11-13H,4,7-8,10H2,1-3H3,(H,24,27)

InChI Key

FRUXTXHNVOUBAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.61

Polar Surface Area

86.525

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C614-6145 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C614-6145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6145?
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What is the minimum amount of C614-6145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6145
  • 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 C614-6145 available by request