8014-2152 Screening compound: 2-{[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]oxy}acetic acid

8014-2152 Screening compound: 2-{[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]oxy}acetic acid
8014-2152 Screening compound: 2-{[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]oxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2152
2-{[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]oxy}acetic acid

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

8014-2152

Molecular Formula

C10H9F3N2O3 (C10 H9 F3 N2 O3)

Compound Name

2-{[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]oxy}acetic acid

IUPAC name

2-{[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]oxy}acetic acid

SMILES

OC(COc1nc(C2CC2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-6(5-1-2-5)14-9(15-7)18-4-8(16)17/h3,5H,1-2,4H2,(H,16,17)

InChI Key

XBLIMAUPCNVIPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

-1.615

Water Solubility, LogSw

-2.30

Polar Surface Area

54.745

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8014-2152 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2152?
Check Price and Availability of 8014-2152, 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 8014-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2152
  • 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 8014-2152 available by request