G373-2990 Screening compound: methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

G373-2990 Screening compound: methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
G373-2990 Screening compound: methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-2990
methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)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

G373-2990

Molecular Formula

C25H29ClN6O4 (C25 H29 ClN6 O4)

Compound Name

methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

methyl 4-chloro-2-[(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-13-benzodiazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

SMILES

CN(C)C(c(cc1)cc2c1n(C)c(CN(CC1)CCN1C(Nc(cc(cc1)Cl)c1C(OC)=O)=O)n2)=O

InChI

InChI=1S/C25H29ClN6O4/c1-29(2)23(33)16-5-8-21-20(13-16)27-22(30(21)3)15-31-9-11-32(12-10-31)25(35)28-19-14-17(26)6-7-18(19)24(34)36-4/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,35)

InChI Key

JQOAPHLWZHTOEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15006347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

1.207

Water Solubility, LogSw

-3.09

Polar Surface Area

77.711

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G373-2990 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G373-2990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-2990?
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What is the minimum amount of G373-2990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-2990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-2990
  • 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 G373-2990 available by request