7489-2102 Screening compound: 4-[3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamido]benzoic acid

7489-2102 Screening compound: 4-[3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamido]benzoic acid
7489-2102 Screening compound: 4-[3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-2102
4-[3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamido]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

7489-2102

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

4-[3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamido]benzoic acid

IUPAC name

4-[3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(CCN(c(cccc1)c1S1)C1=O)=O)=O

InChI

InChI=1S/C17H14N2O4S/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-19-13-3-1-2-4-14(13)24-17(19)23/h1-8H,9-10H2,(H,18,20)(H,21,22)

InChI Key

ITPVZVUENOFCFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06761473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

0.653

Water Solubility, LogSw

-3.51

Polar Surface Area

67.347

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

7489-2102 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7489-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2102?
Check Price and Availability of 7489-2102, 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 7489-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2102
  • 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 7489-2102 available by request