D233-0143 Screening compound: methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]benzoate

D233-0143 Screening compound: methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]benzoate
D233-0143 Screening compound: methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0143
methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)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

D233-0143

Molecular Formula

C16H14ClN3O3S (C16 H14 ClN3 O3 S)

Compound Name

methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]benzoate

IUPAC name

methyl 2-[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-amido]benzoate

SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c1-3-8-24-16-18-9-11(17)13(20-16)14(21)19-12-7-5-4-6-10(12)15(22)23-2/h3-7,9H,1,8H2,2H3,(H,19,21)

InChI Key

UYNVWCZIFJYEIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

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

3.920

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-4.25

Polar Surface Area

62.391

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with D233-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0143?
Check Price and Availability of D233-0143, 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 D233-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0143
  • 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 D233-0143 available by request