D244-0029 Screening compound: methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)benzoate

D244-0029 Screening compound: methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)benzoate
D244-0029 Screening compound: methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0029
methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)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

D244-0029

Molecular Formula

C21H18ClN3O3S (C21 H18 ClN3 O3 S)

Compound Name

methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)benzoate

IUPAC name

methyl 2-(5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)benzoate

SMILES

Cc1c(CSc(nc2)nc(C(Nc(cccc3)c3C(OC)=O)=O)c2Cl)cccc1

InChI

InChI=1S/C21H18ClN3O3S/c1-13-7-3-4-8-14(13)12-29-21-23-11-16(22)18(25-21)19(26)24-17-10-6-5-9-15(17)20(27)28-2/h3-11H,12H2,1-2H3,(H,24,26)

InChI Key

QMRGVZXUMKHEJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07428059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.545

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-5.81

Polar Surface Area

62.119

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D244-0029 in Drug Discovery

Included in Screening Libraries

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 D244-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0029?
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What is the minimum amount of D244-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0029
  • 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 D244-0029 available by request