T816-9005 Screening compound: methyl 2-[4-chloro-2-(3-fluorophenyl)-6-methylpyrimidin-5-yl]acetate

T816-9005 Screening compound: methyl 2-[4-chloro-2-(3-fluorophenyl)-6-methylpyrimidin-5-yl]acetate
T816-9005 Screening compound: methyl 2-[4-chloro-2-(3-fluorophenyl)-6-methylpyrimidin-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound T816-9005
methyl 2-[4-chloro-2-(3-fluorophenyl)-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

T816-9005

Molecular Formula

C14H12ClFN2O2 (C14 H12 ClFN2 O2)

Compound Name

methyl 2-[4-chloro-2-(3-fluorophenyl)-6-methylpyrimidin-5-yl]acetate

IUPAC name

methyl 2-[4-chloro-2-(3-fluorophenyl)-6-methylpyrimidin-5-yl]acetate

SMILES

Cc1c(CC(OC)=O)c(Cl)nc(-c2cc(F)ccc2)n1

InChI

InChI=1S/C14H12ClFN2O2/c1-8-11(7-12(19)20-2)13(15)18-14(17-8)9-4-3-5-10(16)6-9/h3-6H,7H2,1-2H3

InChI Key

ZHAAKNNQWFAAOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.28

Polar Surface Area

40.331

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

T816-9005 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T816-9005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T816-9005?
Check Price and Availability of T816-9005, 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 T816-9005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T816-9005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T816-9005
  • 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 T816-9005 available by request