T816-9009 Screening compound: methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate

T816-9009 Screening compound: methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate
T816-9009 Screening compound: methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound T816-9009
methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate

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

T816-9009

Molecular Formula

C15H15ClN2O3 (C15 H15 ClN2 O3)

Compound Name

methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate

IUPAC name

methyl 2-[4-chloro-2-(4-methoxyphenyl)-6-methylpyrimidin-5-yl]acetate

SMILES

Cc1c(CC(OC)=O)c(Cl)nc(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C15H15ClN2O3/c1-9-12(8-13(19)21-3)14(16)18-15(17-9)10-4-6-11(20-2)7-5-10/h4-7H,8H2,1-3H3

InChI Key

JLICDJAHXBCSEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.99

Polar Surface Area

47.875

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

T816-9009 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T816-9009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T816-9009?
Check Price and Availability of T816-9009, 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 T816-9009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T816-9009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T816-9009
  • 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 T816-9009 available by request