3202-0036 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

3202-0036 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
3202-0036 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0036
N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-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

3202-0036

Molecular Formula

C17H13FN4O3S2 (C17 H13 FN4 O3 S2)

Compound Name

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

IUPAC name

N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-134-thiadiazol-2-yl]-3-nitrobenzamide

SMILES

[O-][N+](c1cccc(C(Nc2nnc(CSCc(cc3)ccc3F)s2)=O)c1)=O

InChI

InChI=1S/C17H13FN4O3S2/c18-13-6-4-11(5-7-13)9-26-10-15-20-21-17(27-15)19-16(23)12-2-1-3-14(8-12)22(24)25/h1-8H,9-10H2,(H,19,21,23)

InChI Key

CKBGKQZCBXMMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-4.37

Polar Surface Area

80.480

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3202-0036 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3202-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0036?
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What is the minimum amount of 3202-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0036
  • 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 3202-0036 available by request