4606-5525 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-phenylbutanamide

4606-5525 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-phenylbutanamide
4606-5525 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-5525
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-phenylbutanamide

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

4606-5525

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-phenylbutanamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-4-phenylbutanamide

SMILES

CS(c(cc1)cc2c1nc(NC(CCCc1ccccc1)=O)s2)(=O)=O

InChI

InChI=1S/C18H18N2O3S2/c1-25(22,23)14-10-11-15-16(12-14)24-18(19-15)20-17(21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,20,21)

InChI Key

WVGWUJQBBUHQIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.84

Polar Surface Area

62.626

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4606-5525 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4606-5525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-5525?
Check Price and Availability of 4606-5525, 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 4606-5525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-5525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-5525
  • 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 4606-5525 available by request