D233-0061 Screening compound: 5-chloro-N-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

D233-0061 Screening compound: 5-chloro-N-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
D233-0061 Screening compound: 5-chloro-N-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0061
5-chloro-N-(4-methylphenyl)-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

D233-0061

Molecular Formula

C20H18ClN3OS (C20 H18 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc(nc2)nc(C(Nc3ccc(C)cc3)=O)c2Cl)cc1

InChI

InChI=1S/C20H18ClN3OS/c1-13-3-7-15(8-4-13)12-26-20-22-11-17(21)18(24-20)19(25)23-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,23,25)

InChI Key

OILDEYOPZFTSMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.85

Polar Surface Area

41.643

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with D233-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0061?
Check Price and Availability of D233-0061, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D233-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0061
  • 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 D233-0061 available by request