C716-0029 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

C716-0029 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
C716-0029 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0029
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)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

C716-0029

Molecular Formula

C18H13F2N3O4S2 (C18 H13 F2 N3 O4 S2)

Compound Name

2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

IUPAC name

2-{[5-(benzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(24-difluorophenyl)acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c1ccccc1)(=O)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C18H13F2N3O4S2/c19-11-6-7-14(13(20)8-11)22-16(24)10-28-18-21-9-15(17(25)23-18)29(26,27)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,24)(H,21,23,25)

InChI Key

REWSALNVNOVSNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-2.67

Polar Surface Area

86.442

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with C716-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0029?
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What is the minimum amount of C716-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0029
  • 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 C716-0029 available by request