G799-0288 Screening compound: ethyl 4-{[1-cyclohexyl(cyclopentylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0288 Screening compound: ethyl 4-{[1-cyclohexyl(cyclopentylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0288 Screening compound: ethyl 4-{[1-cyclohexyl(cyclopentylcarbamoyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0288
ethyl 4-{[1-cyclohexyl(cyclopentylcarbamoyl)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

G799-0288

Molecular Formula

C22H35N3O3 (C22 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(NC2CCCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C22H35N3O3/c1-4-28-21(26)20-15(2)19(16(3)23-20)14-25(18-12-6-5-7-13-18)22(27)24-17-10-8-9-11-17/h17-18,23H,4-14H2,1-3H3,(H,24,27)

InChI Key

XTZOEVMDOJEDNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

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

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.45

Polar Surface Area

57.392

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

G799-0288 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G799-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0288?
Check Price and Availability of G799-0288, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G799-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0288
  • 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 G799-0288 available by request