C848-0113 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-1,3-thiazole

C848-0113 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-1,3-thiazole
C848-0113 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0113
4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-1,3-thiazole

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

C848-0113

Molecular Formula

C14H15ClN2O4S3 (C14 H15 ClN2 O4 S3)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-1,3-thiazole

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-5-(pyrrolidin-1-yl)-13-thiazole

SMILES

CS(c1nc(S(c(cc2)ccc2Cl)(=O)=O)c(N2CCCC2)s1)(=O)=O

InChI

InChI=1S/C14H15ClN2O4S3/c1-23(18,19)14-16-12(13(22-14)17-8-2-3-9-17)24(20,21)11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3

InChI Key

ADKIUIVTSATVMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.53

Polar Surface Area

73.683

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C848-0113 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C848-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0113?
Check Price and Availability of C848-0113, 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 C848-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0113
  • 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 C848-0113 available by request