Y010-0550 Screening compound: 3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate

Y010-0550 Screening compound: 3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate
Y010-0550 Screening compound: 3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0550
3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl 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

Y010-0550

Molecular Formula

C21H13ClF3N3O2S (C21 H13 ClF3 N3 O2 S)

Compound Name

3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate

IUPAC name

3-{2-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-13-thiazol-4-yl}phenyl acetate

SMILES

CC(Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c(cc3)ccc3Cl)n2)c1)=O

InChI

InChI=1S/C21H13ClF3N3O2S/c1-12(29)30-16-4-2-3-14(9-16)17-11-31-20(26-17)28-18(10-19(27-28)21(23,24)25)13-5-7-15(22)8-6-13/h2-11H,1H3

InChI Key

UJIGHMTWPHTDDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06241902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.525

Distribution Coefficient, logD

6.525

Water Solubility, LogSw

-6.45

Polar Surface Area

43.361

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

Y010-0550 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y010-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0550?
Check Price and Availability of Y010-0550, 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 Y010-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0550
  • 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 Y010-0550 available by request