D233-0095 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

D233-0095 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
D233-0095 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0095
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}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

D233-0095

Molecular Formula

C23H24ClN3O3S (C23 H24 ClN3 O3 S)

Compound Name

5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[2-(34-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

SMILES

Cc1ccc(CSc(nc2)nc(C(NCCc(cc3)cc(OC)c3OC)=O)c2Cl)cc1

InChI

InChI=1S/C23H24ClN3O3S/c1-15-4-6-17(7-5-15)14-31-23-26-13-18(24)21(27-23)22(28)25-11-10-16-8-9-19(29-2)20(12-16)30-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,28)

InChI Key

HQFVAIJLPYAHAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.36

Polar Surface Area

58.068

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D233-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D233-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0095?
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What is the minimum amount of D233-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0095
  • 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 D233-0095 available by request