G760-0116 Screening compound: ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate

G760-0116 Screening compound: ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate
G760-0116 Screening compound: ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G760-0116
ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate

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

G760-0116

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate

IUPAC name

ethyl 2-[({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamoyl)amino]benzoate

SMILES

CCOC(c(cccc1)c1NC(NCc1c(-n2cccc2)n(-c2ccccc2)nc1C)=O)=O

InChI

InChI=1S/C25H25N5O3/c1-3-33-24(31)20-13-7-8-14-22(20)27-25(32)26-17-21-18(2)28-30(19-11-5-4-6-12-19)23(21)29-15-9-10-16-29/h4-16H,3,17H2,1-2H3,(H2,26,27,32)

InChI Key

YGIMJZMCFWMGBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15033429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.42

Polar Surface Area

71.129

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G760-0116 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G760-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G760-0116?
Check Price and Availability of G760-0116, 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 G760-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G760-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G760-0116
  • 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 G760-0116 available by request