F736-0763 Screening compound: 5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F736-0763 Screening compound: 5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F736-0763 Screening compound: 5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0763
5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

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

F736-0763

Molecular Formula

C18H13ClF2N4O2S2 (C18 H13 ClF2 N4 O2 S2)

Compound Name

5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[({[(2-chloro-4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(CSc1nnc(C(Nc(cc2)ccc2F)=O)s1)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C18H13ClF2N4O2S2/c19-14-7-12(21)2-1-10(14)8-22-15(26)9-28-18-25-24-17(29-18)16(27)23-13-5-3-11(20)4-6-13/h1-7H,8-9H2,(H,22,26)(H,23,27)

InChI Key

SZBTVUFBAGSQGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.43

Polar Surface Area

70.395

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with F736-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0763?
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What is the minimum amount of F736-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0763
  • 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 F736-0763 available by request