G889-1345 Screening compound: 5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid

G889-1345 Screening compound: 5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid
G889-1345 Screening compound: 5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1345
5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid

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

G889-1345

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid

IUPAC name

5-(4-bromobenzamido)-2-(3-phenylpyrrolidin-1-yl)benzoic acid

SMILES

OC(c(cc(cc1)NC(c(cc2)ccc2Br)=O)c1N(CC1)CC1c1ccccc1)=O

InChI

InChI=1S/C24H21BrN2O3/c25-19-8-6-17(7-9-19)23(28)26-20-10-11-22(21(14-20)24(29)30)27-13-12-18(15-27)16-4-2-1-3-5-16/h1-11,14,18H,12-13,15H2,(H,26,28)(H,29,30)/t18-/m1/s1

InChI Key

XCXYZCIDBBCADY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27166472

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-5.73

Polar Surface Area

54.917

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G889-1345 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G889-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1345?
Check Price and Availability of G889-1345, 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 G889-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1345
  • 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 G889-1345 available by request