G889-1639 Screening compound: 5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

G889-1639 Screening compound: 5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid
G889-1639 Screening compound: 5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1639
5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}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

G889-1639

Molecular Formula

C28H30N4O4 (C28 H30 N4 O4)

Compound Name

5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

IUPAC name

5-(4-methylbenzamido)-2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc(C(O)=O)c1N1CCN(CC(Nc2ccc(C)cc2)=O)CC1)=O

InChI

InChI=1S/C28H30N4O4/c1-19-3-7-21(8-4-19)27(34)30-23-11-12-25(24(17-23)28(35)36)32-15-13-31(14-16-32)18-26(33)29-22-9-5-20(2)6-10-22/h3-12,17H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)

InChI Key

IYVVJPSPCOBWNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073261

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-4.62

Polar Surface Area

81.579

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G889-1639 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with G889-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1639?
Check Price and Availability of G889-1639, 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 G889-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1639
  • 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 G889-1639 available by request