G799-0246 Screening compound: ethyl 4-({1-cyclohexyl[(5-chloro-2-methoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0246 Screening compound: ethyl 4-({1-cyclohexyl[(5-chloro-2-methoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0246 Screening compound: ethyl 4-({1-cyclohexyl[(5-chloro-2-methoxyphenyl)carbamoyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0246
ethyl 4-({1-cyclohexyl[(5-chloro-2-methoxyphenyl)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

G799-0246

Molecular Formula

C24H32ClN3O4 (C24 H32 ClN3 O4)

Compound Name

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

IUPAC name

ethyl 4-({1-cyclohexyl[(5-chloro-2-methoxyphenyl)carbamoyl]amino}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

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

InChI

InChI=1S/C24H32ClN3O4/c1-5-32-23(29)22-15(2)19(16(3)26-22)14-28(18-9-7-6-8-10-18)24(30)27-20-13-17(25)11-12-21(20)31-4/h11-13,18,26H,5-10,14H2,1-4H3,(H,27,30)

InChI Key

JTWGWAINOUWEGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.764

Distribution Coefficient, logD

5.764

Water Solubility, LogSw

-5.76

Polar Surface Area

62.911

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G799-0246 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G799-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0246?
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What is the minimum amount of G799-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0246
  • 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 G799-0246 available by request