D054-0352 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

D054-0352 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
D054-0352 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0352
5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-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

D054-0352

Molecular Formula

C17H16ClN5OS3 (C17 H16 ClN5 OS3)

Compound Name

5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(ethylsulfanyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)pyrimidine-4-carboxamide

SMILES

CCSc(nc1)nc(C(Nc2nnc(SCc3c(C)cccc3)s2)=O)c1Cl

InChI

InChI=1S/C17H16ClN5OS3/c1-3-25-15-19-8-12(18)13(20-15)14(24)21-16-22-23-17(27-16)26-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,21,22,24)

InChI Key

FYXXHXYOZDDJIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.007

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.99

Polar Surface Area

64.549

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D054-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0352?
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What is the minimum amount of D054-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0352
  • 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 D054-0352 available by request