D244-0163 Screening compound: 2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-1,3-thiazole-5-carboxylate

D244-0163 Screening compound: 2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-1,3-thiazole-5-carboxylate
D244-0163 Screening compound: 2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0163
2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-1,3-thiazole-5-carboxylate

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

D244-0163

Molecular Formula

C22H23ClN4O3S2 (C22 H23 ClN4 O3 S2)

Compound Name

2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

2-methylpropyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4-methyl-13-thiazole-5-carboxylate

SMILES

CC(C)COC(c1c(C)nc(NC(c(nc(nc2)SCc3cc(C)ccc3)c2Cl)=O)s1)=O

InChI

InChI=1S/C22H23ClN4O3S2/c1-12(2)10-30-20(29)18-14(4)25-22(32-18)27-19(28)17-16(23)9-24-21(26-17)31-11-15-7-5-6-13(3)8-15/h5-9,12H,10-11H2,1-4H3,(H,25,27,28)

InChI Key

ONWOBZDOVHXMHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.441

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-6.21

Polar Surface Area

73.396

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D244-0163 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D244-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0163?
Check Price and Availability of D244-0163, 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 D244-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0163
  • 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 D244-0163 available by request