C200-4563 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

C200-4563 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
C200-4563 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4563
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-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

C200-4563

Molecular Formula

C20H16BrN3O6S2 (C20 H16 BrN3 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c(cc1)ccc1Br)(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H16BrN3O6S2/c21-13-2-4-14(5-3-13)32(27,28)17-9-23-20(24-19(17)26)31-10-18(25)22-8-12-1-6-15-16(7-12)30-11-29-15/h1-7,9H,8,10-11H2,(H,22,25)(H,23,24,26)

InChI Key

VDENYORSSPRHIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

0.805

Water Solubility, LogSw

-2.97

Polar Surface Area

105.578

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C200-4563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4563?
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What is the minimum amount of C200-4563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4563
  • 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 C200-4563 available by request