4555-4294 Screening compound: 4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

4555-4294 Screening compound: 4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid
4555-4294 Screening compound: 4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-4294
4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic 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

4555-4294

Molecular Formula

C13H14N2O5S2 (C13 H14 N2 O5 S2)

Compound Name

4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid

IUPAC name

4-[(6-methanesulfonyl-13-benzothiazol-2-yl)carbamoyl]butanoic acid

SMILES

CS(c(cc1)cc2c1nc(NC(CCCC(O)=O)=O)s2)(=O)=O

InChI

InChI=1S/C13H14N2O5S2/c1-22(19,20)8-5-6-9-10(7-8)21-13(14-9)15-11(16)3-2-4-12(17)18/h5-7H,2-4H2,1H3,(H,17,18)(H,14,15,16)

InChI Key

WFWNKNPDVIPUCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.285

Distribution Coefficient, logD

-2.312

Water Solubility, LogSw

-2.26

Polar Surface Area

91.282

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4555-4294 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4555-4294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-4294?
Check Price and Availability of 4555-4294, 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 4555-4294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-4294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-4294
  • 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 4555-4294 available by request