C716-0585 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

C716-0585 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
C716-0585 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0585
2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)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

C716-0585

Molecular Formula

C20H18BrN3O6S2 (C20 H18 BrN3 O6 S2)

Compound Name

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

IUPAC name

2-{[5-(4-bromobenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CSC(NC2=O)=NC=C2S(c(cc2)ccc2Br)(=O)=O)=O)c1OC

InChI

InChI=1S/C20H18BrN3O6S2/c1-29-13-5-8-16(30-2)15(9-13)23-18(25)11-31-20-22-10-17(19(26)24-20)32(27,28)14-6-3-12(21)4-7-14/h3-10H,11H2,1-2H3,(H,23,25)(H,22,24,26)

InChI Key

LIYFITIYTBJCCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

0.894

Water Solubility, LogSw

-3.04

Polar Surface Area

101.617

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C716-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0585?
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What is the minimum amount of C716-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0585
  • 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 C716-0585 available by request