C224-4175 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C224-4175 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
C224-4175 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-4175
3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

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

C224-4175

Molecular Formula

C15H13BrN2O4S3 (C15 H13 BrN2 O4 S3)

Compound Name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-methoxy-13-benzothiazol-2-yl)propanamide

SMILES

COc(cc1)cc2c1nc(NC(CCS(c(s1)ccc1Br)(=O)=O)=O)s2

InChI

InChI=1S/C15H13BrN2O4S3/c1-22-9-2-3-10-11(8-9)23-15(17-10)18-13(19)6-7-25(20,21)14-5-4-12(16)24-14/h2-5,8H,6-7H2,1H3,(H,17,18,19)

InChI Key

WLONWDRFUVBPOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-4.11

Polar Surface Area

70.476

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C224-4175 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C224-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-4175?
Check Price and Availability of C224-4175, 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 C224-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-4175
  • 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 C224-4175 available by request