4038-0140 Screening compound: N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide

4038-0140 Screening compound: N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
4038-0140 Screening compound: N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4038-0140
N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide

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

4038-0140

Molecular Formula

C18H13F2N3O2S (C18 H13 F2 N3 O2 S)

Compound Name

N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(34-difluorophenyl)-2-[(4-oxo-6-phenyl-14-dihydropyrimidin-2-yl)sulfanyl]acetamide

SMILES

O=C(CSC(NC(c1ccccc1)=C1)=NC1=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C18H13F2N3O2S/c19-13-7-6-12(8-14(13)20)21-17(25)10-26-18-22-15(9-16(24)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,23,24)

InChI Key

UZVGELHFAYSCTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

0.321

Water Solubility, LogSw

-3.51

Polar Surface Area

57.679

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 4038-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4038-0140?
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What is the minimum amount of 4038-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4038-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4038-0140
  • 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 4038-0140 available by request