D054-0248 Screening compound: 5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide

D054-0248 Screening compound: 5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
D054-0248 Screening compound: 5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0248
5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)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

D054-0248

Molecular Formula

C15H11ClFN5OS3 (C15 H11 ClFN5 OS3)

Compound Name

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

IUPAC name

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

SMILES

CSc(nc1)nc(C(Nc2nnc(SCc(cccc3)c3F)s2)=O)c1Cl

InChI

InChI=1S/C15H11ClFN5OS3/c1-24-13-18-6-9(16)11(19-13)12(23)20-14-21-22-15(26-14)25-7-8-4-2-3-5-10(8)17/h2-6H,7H2,1H3,(H,20,21,23)

InChI Key

IDZAHKIACYAZSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-5.41

Polar Surface Area

64.549

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with D054-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0248?
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What is the minimum amount of D054-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0248
  • 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 D054-0248 available by request