G892-0077 Screening compound: ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate

G892-0077 Screening compound: ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
G892-0077 Screening compound: ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G892-0077
ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-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

G892-0077

Molecular Formula

C20H19ClN4O3 (C20 H19 ClN4 O3)

Compound Name

ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-amino-1-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1c(N)n(-c(cc2)ccc2C(NCc(cccc2)c2Cl)=O)nc1)=O

InChI

InChI=1S/C20H19ClN4O3/c1-2-28-20(27)16-12-24-25(18(16)22)15-9-7-13(8-10-15)19(26)23-11-14-5-3-4-6-17(14)21/h3-10,12H,2,11,22H2,1H3,(H,23,26)

InChI Key

IIJYPRXBTHZEOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-4.00

Polar Surface Area

78.721

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G892-0077 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G892-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G892-0077?
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What is the minimum amount of G892-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G892-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G892-0077
  • 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 G892-0077 available by request