8018-1579 Screening compound: 2-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol

8018-1579 Screening compound: 2-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol
8018-1579 Screening compound: 2-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1579
2-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol

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

8018-1579

Molecular Formula

C13H6F8N2O (C13 H6 F8 N2 O)

Compound Name

2-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol

IUPAC name

2-[4-(11222-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenol

SMILES

Oc(cccc1)c1-c1nc(C(C(F)(F)F)(F)F)cc(C(F)(F)F)n1

InChI

InChI=1S/C13H6F8N2O/c14-11(15,13(19,20)21)8-5-9(12(16,17)18)23-10(22-8)6-3-1-2-4-7(6)24/h1-5,24H

InChI Key

UGPAXTCIHKJKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.32

Polar Surface Area

35.086

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8018-1579 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 8018-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1579?
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What is the minimum amount of 8018-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1579
  • 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 8018-1579 available by request