G889-1016 Screening compound: 5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-1-yl]benzoic acid

G889-1016 Screening compound: 5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-1-yl]benzoic acid
G889-1016 Screening compound: 5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1016
5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-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

G889-1016

Molecular Formula

C23H28ClN3O3 (C23 H28 ClN3 O3)

Compound Name

5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-1-yl]benzoic acid

IUPAC name

5-(3-chlorobenzamido)-2-[4-(pentan-2-yl)piperazin-1-yl]benzoic acid

SMILES

CCCC(C)N(CC1)CCN1c(ccc(NC(c1cccc(Cl)c1)=O)c1)c1C(O)=O

InChI

InChI=1S/C23H28ClN3O3/c1-3-5-16(2)26-10-12-27(13-11-26)21-9-8-19(15-20(21)23(29)30)25-22(28)17-6-4-7-18(24)14-17/h4,6-9,14-16H,3,5,10-13H2,1-2H3,(H,25,28)(H,29,30)/t16-/m0/s1

InChI Key

RHDZOEOYNQOLNO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15073246

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.66

Polar Surface Area

58.338

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G889-1016 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G889-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1016?
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What is the minimum amount of G889-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1016
  • 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 G889-1016 available by request