F736-0776 Screening compound: 5-[({[(3-bromophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F736-0776 Screening compound: 5-[({[(3-bromophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F736-0776 Screening compound: 5-[({[(3-bromophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0776
5-[({[(3-bromophenyl)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

F736-0776

Molecular Formula

C18H14BrFN4O2S2 (C18 H14 BrFN4 O2 S2)

Compound Name

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

IUPAC name

5-[({[(3-bromophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(CSc1nnc(C(Nc(cc2)ccc2F)=O)s1)NCc1cccc(Br)c1

InChI

InChI=1S/C18H14BrFN4O2S2/c19-12-3-1-2-11(8-12)9-21-15(25)10-27-18-24-23-17(28-18)16(26)22-14-6-4-13(20)5-7-14/h1-8H,9-10H2,(H,21,25)(H,22,26)

InChI Key

XAOFYGYXLIKGPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.37

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

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.07

Polar Surface Area

70.395

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with F736-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0776?
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What is the minimum amount of F736-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0776
  • 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 F736-0776 available by request