6438-0104 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

6438-0104 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide
6438-0104 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6438-0104
2-[(5-amino-1,3,4-thiadiazol-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

6438-0104

Molecular Formula

C13H10N6O5S4 (C13 H10 N6 O5 S4)

Compound Name

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-[(5-amino-134-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]acetamide

SMILES

Nc1nnc(SCC(Nc(s2)ncc2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)s1

InChI

InChI=1S/C13H10N6O5S4/c14-11-17-18-13(27-11)25-6-9(20)16-12-15-5-10(26-12)28(23,24)8-3-1-7(2-4-8)19(21)22/h1-5H,6H2,(H2,14,17)(H,15,16,20)

InChI Key

FTIQEFGOGHFDNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-2.73

Polar Surface Area

140.230

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6438-0104 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 6438-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6438-0104?
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What is the minimum amount of 6438-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6438-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6438-0104
  • 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 6438-0104 available by request