C716-0072 Screening compound: ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

C716-0072 Screening compound: ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
C716-0072 Screening compound: ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0072
ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

C716-0072

Molecular Formula

C22H21N3O6S2 (C22 H21 N3 O6 S2)

Compound Name

ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(NC1=O)=NC=C1S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H21N3O6S2/c1-3-31-21(28)15-6-8-16(9-7-15)24-19(26)13-32-22-23-12-18(20(27)25-22)33(29,30)17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,24,26)(H,23,25,27)

InChI Key

BOIBYZKUPICEHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-3.39

Polar Surface Area

107.894

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C716-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0072?
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What is the minimum amount of C716-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0072
  • 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 C716-0072 available by request