4130-0130 Screening compound: N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

4130-0130 Screening compound: N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide
4130-0130 Screening compound: N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-0130
N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

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

4130-0130

Molecular Formula

C15H13N3O3S2 (C15 H13 N3 O3 S2)

Compound Name

N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

N-{4-[(13-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1S(Nc1nc(cccc2)c2s1)(=O)=O)=O

InChI

InChI=1S/C15H13N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h2-9H,1H3,(H,16,19)(H,17,18)

InChI Key

UFCIJXMPMHBRTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.45

Polar Surface Area

73.911

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4130-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4130-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-0130?
Check Price and Availability of 4130-0130, 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 4130-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-0130
  • 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 4130-0130 available by request