G799-0307 Screening compound: ethyl 4-{[3-cyclohexyl(cyclohexylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0307 Screening compound: ethyl 4-{[3-cyclohexyl(cyclohexylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0307 Screening compound: ethyl 4-{[3-cyclohexyl(cyclohexylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0307
ethyl 4-{[3-cyclohexyl(cyclohexylcarbamoyl)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

G799-0307

Molecular Formula

C23H37N3O3 (C23 H37 N3 O3)

Compound Name

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

IUPAC name

ethyl 4-{[3-cyclohexyl(cyclohexylcarbamoyl)amino]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(NC2CCCCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C23H37N3O3/c1-4-29-22(27)21-16(2)20(17(3)24-21)15-26(19-13-9-6-10-14-19)23(28)25-18-11-7-5-8-12-18/h18-19,24H,4-15H2,1-3H3,(H,25,28)

InChI Key

OPNZLDRVWPPAPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

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

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.16

Polar Surface Area

57.026

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.90

G799-0307 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G799-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0307?
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What is the minimum amount of G799-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0307
  • 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 G799-0307 available by request