8019-0335 Screening compound: (5-chloro-2-hydroxyphenyl)[4-(trifluoromethyl)-1H-1,2,3-triazol-5-yl]methanone

8019-0335 Screening compound: (5-chloro-2-hydroxyphenyl)[4-(trifluoromethyl)-1H-1,2,3-triazol-5-yl]methanone
8019-0335 Screening compound: (5-chloro-2-hydroxyphenyl)[4-(trifluoromethyl)-1H-1,2,3-triazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0335
(5-chloro-2-hydroxyphenyl)[4-(trifluoromethyl)-1H-1,2,3-triazol-5-yl]methanone

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

8019-0335

Molecular Formula

C10H5ClF3N3O2 (C10 H5 ClF3 N3 O2)

Compound Name

(5-chloro-2-hydroxyphenyl)[4-(trifluoromethyl)-1H-1,2,3-triazol-5-yl]methanone

IUPAC name

4-chloro-2-[4-(trifluoromethyl)-1H-123-triazole-5-carbonyl]phenol

SMILES

Oc(ccc(Cl)c1)c1C(c1c(C(F)(F)F)nn[nH]1)=O

InChI

InChI=1S/C10H5ClF3N3O2/c11-4-1-2-6(18)5(3-4)8(19)7-9(10(12,13)14)16-17-15-7/h1-3,18H,(H,15,16,17)

InChI Key

VZIPTCHDFIENBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

1.493

Water Solubility, LogSw

-3.48

Polar Surface Area

67.697

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-0335 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0335?
Check Price and Availability of 8019-0335, 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 8019-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0335
  • 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 8019-0335 available by request