8018-7141 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide

8018-7141 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide
8018-7141 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7141
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide

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

8018-7141

Molecular Formula

C18H22ClN3OS2 (C18 H22 ClN3 OS2)

Compound Name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide

IUPAC name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-3-cyclohexylpropanamide

SMILES

O=C(CCC1CCCCC1)Nc1nnc(SCc(cccc2)c2Cl)s1

InChI

InChI=1S/C18H22ClN3OS2/c19-15-9-5-4-8-14(15)12-24-18-22-21-17(25-18)20-16(23)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,20,21,23)

InChI Key

FLRTYSOSVFFJAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.207

Distribution Coefficient, logD

6.205

Water Solubility, LogSw

-6.10

Polar Surface Area

45.943

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8018-7141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7141?
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What is the minimum amount of 8018-7141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7141
  • 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 8018-7141 available by request