Y010-1802 Screening compound: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

Y010-1802 Screening compound: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Y010-1802 Screening compound: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1802
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

Y010-1802

Molecular Formula

C19H13ClF3N3O2S (C19 H13 ClF3 N3 O2 S)

Compound Name

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-[4-(4-chlorophenyl)-13-thiazol-2-yl]-3-(3-hydroxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(c2nc(-c(cc3)ccc3Cl)cs2)N=C1c1cc(O)ccc1

InChI

InChI=1S/C19H13ClF3N3O2S/c20-13-6-4-11(5-7-13)16-10-29-17(24-16)26-18(28,19(21,22)23)9-15(25-26)12-2-1-3-14(27)8-12/h1-8,10,27-28H,9H2/t18-/m0/s1

InChI Key

QWWKCFNIWWKIDG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06241931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-6.01

Polar Surface Area

57.488

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

Y010-1802 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1802?
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What is the minimum amount of Y010-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1802
  • 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 Y010-1802 available by request