4462-0154 Screening compound: N-[4-amino-2-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide

4462-0154 Screening compound: N-[4-amino-2-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide
4462-0154 Screening compound: N-[4-amino-2-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4462-0154
N-[4-amino-2-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide

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

4462-0154

Molecular Formula

C20H17N3O2S2 (C20 H17 N3 O2 S2)

Compound Name

N-[4-amino-2-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[4-amino-2-(13-benzothiazol-2-yl)phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(ccc(N)c1)c1-c1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C20H17N3O2S2/c1-13-6-9-15(10-7-13)27(24,25)23-17-11-8-14(21)12-16(17)20-22-18-4-2-3-5-19(18)26-20/h2-12,23H,21H2,1H3

InChI Key

HLUMYZJRPHQFAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00160080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.71

Polar Surface Area

70.445

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4462-0154 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4462-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4462-0154?
Check Price and Availability of 4462-0154, 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 4462-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4462-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4462-0154
  • 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 4462-0154 available by request