G331-0076 Screening compound: ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate

G331-0076 Screening compound: ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate
G331-0076 Screening compound: ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0076
ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate

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

G331-0076

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate

IUPAC name

ethyl 2-[1-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)cyclohexyl]acetate

SMILES

CCOC(CC1(CCCCC1)NC(NCc1cccn1Cc1ccccc1)=O)=O

InChI

InChI=1S/C23H31N3O3/c1-2-29-21(27)16-23(13-7-4-8-14-23)25-22(28)24-17-20-12-9-15-26(20)18-19-10-5-3-6-11-19/h3,5-6,9-12,15H,2,4,7-8,13-14,16-18H2,1H3,(H2,24,25,28)

InChI Key

CYKQDTKMQIPUOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-3.83

Polar Surface Area

57.457

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G331-0076 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G331-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0076?
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What is the minimum amount of G331-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0076
  • 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 G331-0076 available by request