D233-0626 Screening compound: 2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate

D233-0626 Screening compound: 2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate
D233-0626 Screening compound: 2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0626
2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)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

D233-0626

Molecular Formula

C17H19ClN4O3S2 (C17 H19 ClN4 O3 S2)

Compound Name

2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

2-methylpropyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]-4-methyl-13-thiazole-5-carboxylate

SMILES

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

InChI

InChI=1S/C17H19ClN4O3S2/c1-5-6-26-16-19-7-11(18)12(21-16)14(23)22-17-20-10(4)13(27-17)15(24)25-8-9(2)3/h5,7,9H,1,6,8H2,2-4H3,(H,20,22,23)

InChI Key

QYTVUVYOYRVXDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

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

4.970

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-4.96

Polar Surface Area

73.667

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D233-0626 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D233-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0626?
Check Price and Availability of D233-0626, 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 D233-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0626
  • 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 D233-0626 available by request