D644-0020 Screening compound: 2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one

D644-0020 Screening compound: 2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
D644-0020 Screening compound: 2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D644-0020
2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one

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

D644-0020

Molecular Formula

C16H16ClF3N2O2 (C16 H16 ClF3 N2 O2)

Compound Name

2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-33a4567-hexahydro-2H-indazol-2-yl]ethan-1-one

SMILES

OC1(C(F)(F)F)N(C(Cc(cc2)ccc2Cl)=O)N=C2C1CCCC2

InChI

InChI=1S/C16H16ClF3N2O2/c17-11-7-5-10(6-8-11)9-14(23)22-15(24,16(18,19)20)12-3-1-2-4-13(12)21-22/h5-8,12,24H,1-4,9H2

InChI Key

ZVKYFIOWQJNGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.13

Polar Surface Area

42.393

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D644-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D644-0020?
Check Price and Availability of D644-0020, 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 D644-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D644-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D644-0020
  • 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 D644-0020 available by request