F499-0183 Screening compound: 5-{[({[(4-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

F499-0183 Screening compound: 5-{[({[(4-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
F499-0183 Screening compound: 5-{[({[(4-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F499-0183
5-{[({[(4-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methylphenyl)-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

F499-0183

Molecular Formula

C20H19ClN4O2S2 (C20 H19 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(c1nnc(CSCC(NCc(cc2)ccc2Cl)=O)s1)=O

InChI

InChI=1S/C20H19ClN4O2S2/c1-13-2-8-16(9-3-13)23-19(27)20-25-24-18(29-20)12-28-11-17(26)22-10-14-4-6-15(21)7-5-14/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)

InChI Key

XQWPWZZSKHFRSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.51

Polar Surface Area

71.529

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F499-0183 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F499-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F499-0183?
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What is the minimum amount of F499-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F499-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F499-0183
  • 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 F499-0183 available by request