G892-0295 Screening compound: ethyl 5-amino-1-(4-{[(4-propoxyphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate

G892-0295 Screening compound: ethyl 5-amino-1-(4-{[(4-propoxyphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
G892-0295 Screening compound: ethyl 5-amino-1-(4-{[(4-propoxyphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G892-0295
ethyl 5-amino-1-(4-{[(4-propoxyphenyl)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

G892-0295

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CNC(c(cc2)ccc2-n2ncc(C(OCC)=O)c2N)=O)cc1

InChI

InChI=1S/C23H26N4O4/c1-3-13-31-19-11-5-16(6-12-19)14-25-22(28)17-7-9-18(10-8-17)27-21(24)20(15-26-27)23(29)30-4-2/h5-12,15H,3-4,13-14,24H2,1-2H3,(H,25,28)

InChI Key

WAAFYYCAQTTXOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.97

Polar Surface Area

86.139

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G892-0295 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G892-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G892-0295?
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What is the minimum amount of G892-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G892-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G892-0295
  • 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 G892-0295 available by request