2900-0302 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide

2900-0302 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
2900-0302 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2900-0302
N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide

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

2900-0302

Molecular Formula

C20H20N4O5S2 (C20 H20 N4 O5 S2)

Compound Name

N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide

IUPAC name

N-{5-[2-(34-dimethylbenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide

SMILES

Cc(cc1)c(C)cc1S(CCc1nnc(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)s1)(=O)=O

InChI

InChI=1S/C20H20N4O5S2/c1-12-5-7-16(10-14(12)3)31(28,29)9-8-18-22-23-20(30-18)21-19(25)15-6-4-13(2)17(11-15)24(26)27/h4-7,10-11H,8-9H2,1-3H3,(H,21,23,25)

InChI Key

GLQMZTVZILEWPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02313100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-4.35

Polar Surface Area

109.215

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2900-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2900-0302?
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What is the minimum amount of 2900-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2900-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2900-0302
  • 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 2900-0302 available by request