D648-0148 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

D648-0148 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
D648-0148 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D648-0148
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)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

D648-0148

Molecular Formula

C24H18FN3O2S2 (C24 H18 FN3 O2 S2)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-hydroxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

SMILES

Oc1cccc(NC(c(nc(nc2)SCc(cc3)ccc3F)c2Sc2ccccc2)=O)c1

InChI

InChI=1S/C24H18FN3O2S2/c25-17-11-9-16(10-12-17)15-31-24-26-14-21(32-20-7-2-1-3-8-20)22(28-24)23(30)27-18-5-4-6-19(29)13-18/h1-14,29H,15H2,(H,27,30)

InChI Key

VSHLLSZLFNWNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.06

Polar Surface Area

58.989

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

D648-0148 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D648-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D648-0148?
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What is the minimum amount of D648-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D648-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D648-0148
  • 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 D648-0148 available by request