1216-0090 Screening compound: 4-(1,1,2,2,2-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate

1216-0090 Screening compound: 4-(1,1,2,2,2-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate
1216-0090 Screening compound: 4-(1,1,2,2,2-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0090
4-(1,1,2,2,2-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate

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

1216-0090

Molecular Formula

C26H29F5O2 (C26 H29 F5 O2)

Compound Name

4-(1,1,2,2,2-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate

IUPAC name

4-(11222-pentafluoroethyl)phenyl 4-(4-pentylcyclohexyl)benzoate

SMILES

CCCCCC(CC1)CCC1c(cc1)ccc1C(Oc1ccc(C(C(F)(F)F)(F)F)cc1)=O

InChI

InChI=1S/C26H29F5O2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(32)33-23-16-14-22(15-17-23)25(27,28)26(29,30)31/h10-19H,2-9H2,1H3

InChI Key

DXTUMQHJWLPXMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.609

Distribution Coefficient, logD

9.609

Water Solubility, LogSw

-5.92

Polar Surface Area

20.537

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1216-0090 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1216-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0090?
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What is the minimum amount of 1216-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0090
  • 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 1216-0090 available by request