F736-0989 Screening compound: 5-[({[(4-butoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

F736-0989 Screening compound: 5-[({[(4-butoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
F736-0989 Screening compound: 5-[({[(4-butoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0989
5-[({[(4-butoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-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

F736-0989

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(CNC(CSc2nnc(C(Nc3ccc(C)cc3)=O)s2)=O)cc1

InChI

InChI=1S/C23H26N4O3S2/c1-3-4-13-30-19-11-7-17(8-12-19)14-24-20(28)15-31-23-27-26-22(32-23)21(29)25-18-9-5-16(2)6-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

WEYDWGGTZGIHRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.47

Polar Surface Area

77.812

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with F736-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0989?
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What is the minimum amount of F736-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0989
  • 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 F736-0989 available by request