C716-0606 Screening compound: methyl 4-(2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

C716-0606 Screening compound: methyl 4-(2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
C716-0606 Screening compound: methyl 4-(2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0606
methyl 4-(2-{[5-(4-bromobenzenesulfonyl)-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

C716-0606

Molecular Formula

C20H16BrN3O6S2 (C20 H16 BrN3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CSC(NC1=O)=NC=C1S(c(cc1)ccc1Br)(=O)=O)=O)=O

InChI

InChI=1S/C20H16BrN3O6S2/c1-30-19(27)12-2-6-14(7-3-12)23-17(25)11-31-20-22-10-16(18(26)24-20)32(28,29)15-8-4-13(21)5-9-15/h2-10H,11H2,1H3,(H,23,25)(H,22,24,26)

InChI Key

DKNSZWJMAGGXII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-3.66

Polar Surface Area

108.314

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C716-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0606?
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What is the minimum amount of C716-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0606
  • 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 C716-0606 available by request