C848-0483 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

C848-0483 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
C848-0483 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0483
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

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

C848-0483

Molecular Formula

C22H26N2O5S3 (C22 H26 N2 O5 S3)

Compound Name

N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

IUPAC name

N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-13-thiazol-5-amine

SMILES

CCCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(NCCc(cc2)ccc2OC)s1)(=O)=O

InChI

InChI=1S/C22H26N2O5S3/c1-4-15-31(25,26)22-24-21(32(27,28)19-11-5-16(2)6-12-19)20(30-22)23-14-13-17-7-9-18(29-3)10-8-17/h5-12,23H,4,13-15H2,1-3H3

InChI Key

BRAKIHOSLIOYLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.24

Polar Surface Area

85.497

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C848-0483 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C848-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0483?
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What is the minimum amount of C848-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0483
  • 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 C848-0483 available by request