F499-0976 Screening compound: N-(3-fluorophenyl)-5-[({[(4-phenylbutan-2-yl)carbamoyl]methyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide

F499-0976 Screening compound: N-(3-fluorophenyl)-5-[({[(4-phenylbutan-2-yl)carbamoyl]methyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
F499-0976 Screening compound: N-(3-fluorophenyl)-5-[({[(4-phenylbutan-2-yl)carbamoyl]methyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F499-0976
N-(3-fluorophenyl)-5-[({[(4-phenylbutan-2-yl)carbamoyl]methyl}sulfanyl)methyl]-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

F499-0976

Molecular Formula

C22H23FN4O2S2 (C22 H23 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(CSCc1nnc(C(Nc2cc(F)ccc2)=O)s1)=O

InChI

InChI=1S/C22H23FN4O2S2/c1-15(10-11-16-6-3-2-4-7-16)24-19(28)13-30-14-20-26-27-22(31-20)21(29)25-18-9-5-8-17(23)12-18/h2-9,12,15H,10-11,13-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1

InChI Key

ONUQIWZONWWCRP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14956374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.32

Polar Surface Area

70.970

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F499-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F499-0976?
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What is the minimum amount of F499-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F499-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F499-0976
  • 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 F499-0976 available by request