D233-0126 Screening compound: 5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

D233-0126 Screening compound: 5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
D233-0126 Screening compound: 5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0126
5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)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

D233-0126

Molecular Formula

C15H14ClN3O2S (C15 H14 ClN3 O2 S)

Compound Name

5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

COc(cccc1)c1NC(c(nc(nc1)SCC=C)c1Cl)=O

InChI

InChI=1S/C15H14ClN3O2S/c1-3-8-22-15-17-9-10(16)13(19-15)14(20)18-11-6-4-5-7-12(11)21-2/h3-7,9H,1,8H2,2H3,(H,18,20)

InChI Key

CTSDDKLDJCDTAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.18

Polar Surface Area

48.848

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with D233-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0126?
Check Price and Availability of D233-0126, 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 D233-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0126
  • 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 D233-0126 available by request