6438-0094 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

6438-0094 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide
6438-0094 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6438-0094
2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]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

6438-0094

Molecular Formula

C19H15N5O5S3 (C19 H15 N5 O5 S3)

Compound Name

2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]acetamide

SMILES

Cc(cc1)cc2c1[nH]c(SCC(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O)n2

InChI

InChI=1S/C19H15N5O5S3/c1-11-2-7-14-15(8-11)22-19(21-14)30-10-16(25)23-18-20-9-17(31-18)32(28,29)13-5-3-12(4-6-13)24(26)27/h2-9H,10H2,1H3,(H,21,22)(H,20,23,25)

InChI Key

BSRLUGGJJNENQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.78

Polar Surface Area

114.580

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6438-0094 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 6438-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6438-0094?
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What is the minimum amount of 6438-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6438-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6438-0094
  • 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 6438-0094 available by request