F736-0768 Screening compound: 5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F736-0768 Screening compound: 5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F736-0768 Screening compound: 5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0768
5-[({[(2,5-dimethoxyphenyl)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

F736-0768

Molecular Formula

C20H19FN4O4S2 (C20 H19 FN4 O4 S2)

Compound Name

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

IUPAC name

5-[({[(25-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)cc(CNC(CSc2nnc(C(Nc(cc3)ccc3F)=O)s2)=O)c1OC

InChI

InChI=1S/C20H19FN4O4S2/c1-28-15-7-8-16(29-2)12(9-15)10-22-17(26)11-30-20-25-24-19(31-20)18(27)23-14-5-3-13(21)4-6-14/h3-9H,10-11H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

KBNWVQDOUSGURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.78

Polar Surface Area

85.569

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with F736-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0768?
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What is the minimum amount of F736-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0768
  • 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 F736-0768 available by request