G799-0268 Screening compound: ethyl 4-({1-cyclohexyl[(2,4-dimethylphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0268 Screening compound: ethyl 4-({1-cyclohexyl[(2,4-dimethylphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0268 Screening compound: ethyl 4-({1-cyclohexyl[(2,4-dimethylphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0268
ethyl 4-({1-cyclohexyl[(2,4-dimethylphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

G799-0268

Molecular Formula

C25H35N3O3 (C25 H35 N3 O3)

Compound Name

ethyl 4-({1-cyclohexyl[(2,4-dimethylphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({1-cyclohexyl[(24-dimethylphenyl)carbamoyl]amino}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(Nc2c(C)cc(C)cc2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C25H35N3O3/c1-6-31-24(29)23-18(4)21(19(5)26-23)15-28(20-10-8-7-9-11-20)25(30)27-22-13-12-16(2)14-17(22)3/h12-14,20,26H,6-11,15H2,1-5H3,(H,27,30)

InChI Key

JXLBZJQTHWUTSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.994

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-5.27

Polar Surface Area

55.281

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

G799-0268 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G799-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0268?
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What is the minimum amount of G799-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0268
  • 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 G799-0268 available by request