D644-0006 Screening compound: 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[4-(propan-2-yl)phenoxy]ethan-1-one

D644-0006 Screening compound: 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[4-(propan-2-yl)phenoxy]ethan-1-one
D644-0006 Screening compound: 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[4-(propan-2-yl)phenoxy]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D644-0006
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[4-(propan-2-yl)phenoxy]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

D644-0006

Molecular Formula

C19H23F3N2O3 (C19 H23 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1OCC(N1N=C(CCCC2)C2C1(C(F)(F)F)O)=O

InChI

InChI=1S/C19H23F3N2O3/c1-12(2)13-7-9-14(10-8-13)27-11-17(25)24-18(26,19(20,21)22)15-5-3-4-6-16(15)23-24/h7-10,12,15,26H,3-6,11H2,1-2H3

InChI Key

CSYGKFVGLJGQOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.14

Polar Surface Area

49.893

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with D644-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D644-0006?
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What is the minimum amount of D644-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D644-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D644-0006
  • 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 D644-0006 available by request