C716-0091 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

C716-0091 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
C716-0091 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0091
N-(2,3-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-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

C716-0091

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

N-(2,3-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dimethylphenyl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(Nc1c(C)c(C)ccc1)=O)(=O)=O

InChI

InChI=1S/C21H21N3O4S2/c1-13-7-9-16(10-8-13)30(27,28)18-11-22-21(24-20(18)26)29-12-19(25)23-17-6-4-5-14(2)15(17)3/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26)

InChI Key

KHRVZEYZYNRHTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

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

3.072

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-3.32

Polar Surface Area

86.442

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C716-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0091?
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What is the minimum amount of C716-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0091
  • 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 C716-0091 available by request