C848-0406 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]azepane

C848-0406 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]azepane
C848-0406 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0406
1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]azepane

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

C848-0406

Molecular Formula

C19H26N2O4S3 (C19 H26 N2 O4 S3)

Compound Name

1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]azepane

IUPAC name

1-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-13-thiazol-5-yl]azepane

SMILES

CCCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(N2CCCCCC2)s1)(=O)=O

InChI

InChI=1S/C19H26N2O4S3/c1-3-14-27(22,23)19-20-17(18(26-19)21-12-6-4-5-7-13-21)28(24,25)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3

InChI Key

GOYKMYZMOFFBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03717312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.53

Polar Surface Area

72.935

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

C848-0406 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C848-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0406?
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What is the minimum amount of C848-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0406
  • 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 C848-0406 available by request