4607-0214 Screening compound: 2-(4-tert-butylbenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

4607-0214 Screening compound: 2-(4-tert-butylbenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
4607-0214 Screening compound: 2-(4-tert-butylbenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-0214
2-(4-tert-butylbenzoyl)-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

4607-0214

Molecular Formula

C19H23F3N2O2 (C19 H23 F3 N2 O2)

Compound Name

2-(4-tert-butylbenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

IUPAC name

2-(4-tert-butylbenzoyl)-3-(trifluoromethyl)-33a4567-hexahydro-2H-indazol-3-ol

SMILES

CC(C)(C)c(cc1)ccc1C(N1N=C(CCCC2)C2C1(C(F)(F)F)O)=O

InChI

InChI=1S/C19H23F3N2O2/c1-17(2,3)13-10-8-12(9-11-13)16(25)24-18(26,19(20,21)22)14-6-4-5-7-15(14)23-24/h8-11,14,26H,4-7H2,1-3H3

InChI Key

MMKOILUKSWELQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02906074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

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

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.44

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with 4607-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-0214?
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What is the minimum amount of 4607-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-0214
  • 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 4607-0214 available by request