G889-0035 Screening compound: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)benzoic acid

G889-0035 Screening compound: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)benzoic acid
G889-0035 Screening compound: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-0035
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)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

G889-0035

Molecular Formula

C26H24FN3O4 (C26 H24 FN3 O4)

Compound Name

2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)benzoic acid

IUPAC name

2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(4-fluorobenzamido)benzoic acid

SMILES

CC(c(cc1)ccc1N(CC1)CCN1c(ccc(NC(c(cc1)ccc1F)=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C26H24FN3O4/c1-17(31)18-4-9-22(10-5-18)29-12-14-30(15-13-29)24-11-8-21(16-23(24)26(33)34)28-25(32)19-2-6-20(27)7-3-19/h2-11,16H,12-15H2,1H3,(H,28,32)(H,33,34)

InChI Key

NROHNKMSWWFSHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073046

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

461.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-4.16

Polar Surface Area

71.976

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G889-0035 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G889-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-0035?
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What is the minimum amount of G889-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-0035
  • 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 G889-0035 available by request