3786-0457 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)acetamide

3786-0457 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)acetamide
3786-0457 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0457
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)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

3786-0457

Molecular Formula

C28H23N3O3S2 (C28 H23 N3 O3 S2)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)acetamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-2-(N-phenylbenzenesulfonamido)acetamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(CN(c1ccccc1)S(c1ccccc1)(=O)=O)=O)s2

InChI

InChI=1S/C28H23N3O3S2/c1-20-12-17-25-26(18-20)35-28(30-25)21-13-15-22(16-14-21)29-27(32)19-31(23-8-4-2-5-9-23)36(33,34)24-10-6-3-7-11-24/h2-18H,19H2,1H3,(H,29,32)

InChI Key

CJNBGMDZQSHOIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02808105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.185

Distribution Coefficient, logD

6.185

Water Solubility, LogSw

-5.51

Polar Surface Area

64.391

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3786-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0457?
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What is the minimum amount of 3786-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0457
  • 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 3786-0457 available by request