G889-2148 Screening compound: 2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)benzoic acid

G889-2148 Screening compound: 2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)benzoic acid
G889-2148 Screening compound: 2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-2148
2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)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

G889-2148

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)benzoic acid

IUPAC name

2-(4-{[(propan-2-yl)carbamoyl]methyl}piperazin-1-yl)-5-(thiophene-2-amido)benzoic acid

SMILES

CC(C)NC(CN(CC1)CCN1c(ccc(NC(c1cccs1)=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C21H26N4O4S/c1-14(2)22-19(26)13-24-7-9-25(10-8-24)17-6-5-15(12-16(17)21(28)29)23-20(27)18-4-3-11-30-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)

InChI Key

KFUWFJDALSWUER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073330

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

430.53

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

2.807

Distribution Coefficient, logD

0.557

Water Solubility, LogSw

-3.39

Polar Surface Area

83.165

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G889-2148 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G889-2148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-2148?
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What is the minimum amount of G889-2148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-2148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-2148
  • 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 G889-2148 available by request