C274-3148 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide

C274-3148 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
C274-3148 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3148
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)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

C274-3148

Molecular Formula

C16H16BrN3O4S3 (C16 H16 BrN3 O4 S3)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(C)S(c(s1)ccc1Br)(=O)=O)=O)s2

InChI

InChI=1S/C16H16BrN3O4S3/c1-3-24-10-4-5-11-12(8-10)25-16(18-11)19-14(21)9-20(2)27(22,23)15-7-6-13(17)26-15/h4-8H,3,9H2,1-2H3,(H,18,19,21)

InChI Key

FMZZOLCZNTUFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.28

Polar Surface Area

73.855

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C274-3148 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C274-3148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3148?
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What is the minimum amount of C274-3148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3148
  • 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 C274-3148 available by request