G799-0247 Screening compound: ethyl 4-({1-cyclohexyl[(2,5-dimethoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0247 Screening compound: ethyl 4-({1-cyclohexyl[(2,5-dimethoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0247 Screening compound: ethyl 4-({1-cyclohexyl[(2,5-dimethoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0247
ethyl 4-({1-cyclohexyl[(2,5-dimethoxyphenyl)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

G799-0247

Molecular Formula

C25H35N3O5 (C25 H35 N3 O5)

Compound Name

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

IUPAC name

ethyl 4-({1-cyclohexyl[(25-dimethoxyphenyl)carbamoyl]amino}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(Nc(cc(cc2)OC)c2OC)=O)c(C)[nH]1)=O

InChI

InChI=1S/C25H35N3O5/c1-6-33-24(29)23-16(2)20(17(3)26-23)15-28(18-10-8-7-9-11-18)25(30)27-21-14-19(31-4)12-13-22(21)32-5/h12-14,18,26H,6-11,15H2,1-5H3,(H,27,30)

InChI Key

RANBQBCYDUUKAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.195

Water Solubility, LogSw

-5.01

Polar Surface Area

70.455

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

G799-0247 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G799-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0247?
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What is the minimum amount of G799-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0247
  • 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 G799-0247 available by request