G889-0459 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid

G889-0459 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid
G889-0459 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-0459
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic 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

G889-0459

Molecular Formula

C23H28ClN3O3 (C23 H28 ClN3 O3)

Compound Name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid

IUPAC name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid

SMILES

CCCCC(Nc(cc1)cc(C(O)=O)c1N(CC1)CCN1c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C23H28ClN3O3/c1-3-4-5-22(28)25-18-8-9-20(19(15-18)23(29)30)26-10-12-27(13-11-26)21-14-17(24)7-6-16(21)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,28)(H,29,30)

InChI Key

VIEVHOAUXWHEPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073146

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-5.55

Polar Surface Area

57.907

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G889-0459 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G889-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-0459?
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What is the minimum amount of G889-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-0459
  • 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 G889-0459 available by request