D644-0022 Screening compound: 2-(1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

D644-0022 Screening compound: 2-(1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
D644-0022 Screening compound: 2-(1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D644-0022
2-(1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-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

D644-0022

Molecular Formula

C12H12F3N3O2S (C12 H12 F3 N3 O2 S)

Compound Name

2-(1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

IUPAC name

2-(13-thiazole-4-carbonyl)-3-(trifluoromethyl)-33a4567-hexahydro-2H-indazol-3-ol

SMILES

OC1(C(F)(F)F)N(C(c2cscn2)=O)N=C2C1CCCC2

InChI

InChI=1S/C12H12F3N3O2S/c13-12(14,15)11(20)7-3-1-2-4-8(7)17-18(11)10(19)9-5-21-6-16-9/h5-7,20H,1-4H2

InChI Key

CYFBNKHREOPKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-1.93

Polar Surface Area

52.549

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

D644-0022 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D644-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D644-0022?
Check Price and Availability of D644-0022, 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 D644-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D644-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D644-0022
  • 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 D644-0022 available by request