D233-0704 Screening compound: 5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

D233-0704 Screening compound: 5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
D233-0704 Screening compound: 5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0704
5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

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

D233-0704

Molecular Formula

C20H18ClFN4O3S2 (C20 H18 ClFN4 O3 S2)

Compound Name

5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

SMILES

NS(c1ccc(CCNC(c(nc(nc2)SCc(cccc3)c3F)c2Cl)=O)cc1)(=O)=O

InChI

InChI=1S/C20H18ClFN4O3S2/c21-16-11-25-20(30-12-14-3-1-2-4-17(14)22)26-18(16)19(27)24-10-9-13-5-7-15(8-6-13)31(23,28)29/h1-8,11H,9-10,12H2,(H,24,27)(H2,23,28,29)

InChI Key

BCPDPJKMARZQJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.52

Polar Surface Area

93.410

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D233-0704 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D233-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0704?
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What is the minimum amount of D233-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0704
  • 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 D233-0704 available by request