G889-1646 Screening compound: 2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)-5-propanamidobenzoic acid

G889-1646 Screening compound: 2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)-5-propanamidobenzoic acid
G889-1646 Screening compound: 2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)-5-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1646
2-(4-{[(4-methylphenyl)carbamoyl]methyl}piperazin-1-yl)-5-propanamidobenzoic 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

G889-1646

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-3-21(28)25-18-8-9-20(19(14-18)23(30)31)27-12-10-26(11-13-27)15-22(29)24-17-6-4-16(2)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29)(H,25,28)(H,30,31)

InChI Key

KMGXFRFATRQYRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073266

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

424.5

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

3.533

Distribution Coefficient, logD

1.283

Water Solubility, LogSw

-3.65

Polar Surface Area

81.637

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with G889-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1646?
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What is the minimum amount of G889-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1646
  • 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 G889-1646 available by request