M071-0417 Screening compound: 4-tert-butyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

M071-0417 Screening compound: 4-tert-butyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
M071-0417 Screening compound: 4-tert-butyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0417
4-tert-butyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-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

M071-0417

Molecular Formula

C20H24N2O4S3 (C20 H24 N2 O4 S3)

Compound Name

4-tert-butyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

IUPAC name

4-tert-butyl-N-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]benzene-1-sulfonamide

SMILES

CCCS(c1nc(ccc(NS(c2ccc(C(C)(C)C)cc2)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C20H24N2O4S3/c1-5-12-28(23,24)19-21-17-11-8-15(13-18(17)27-19)22-29(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-11,13,22H,5,12H2,1-4H3

InChI Key

IOHMISOUYTVOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.52

Polar Surface Area

79.420

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M071-0417 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M071-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0417?
Check Price and Availability of M071-0417, 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 M071-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0417
  • 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 M071-0417 available by request