7853-0024 Screening compound: 2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

7853-0024 Screening compound: 2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol
7853-0024 Screening compound: 2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7853-0024
2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-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

7853-0024

Molecular Formula

C14H15F3N2O2S (C14 H15 F3 N2 O2 S)

Compound Name

2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

IUPAC name

2-(thiophene-2-carbonyl)-3-(trifluoromethyl)-2H3H3aH4H5H6H7H8H-cyclohepta[c]pyrazol-3-ol

SMILES

OC1(C(F)(F)F)N(C(c2cccs2)=O)N=C2C1CCCCC2

InChI

InChI=1S/C14H15F3N2O2S/c15-14(16,17)13(21)9-5-2-1-3-6-10(9)18-19(13)12(20)11-7-4-8-22-11/h4,7-9,21H,1-3,5-6H2

InChI Key

PWHKJFMVDGDDMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.55

Polar Surface Area

44.270

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

7853-0024 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7853-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7853-0024?
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What is the minimum amount of 7853-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7853-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7853-0024
  • 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 7853-0024 available by request