1216-0024 Screening compound: 4,4'-dipentyl-[1,1'-bi(cyclohexane)]-1,1'-diol

1216-0024 Screening compound: 4,4'-dipentyl-[1,1'-bi(cyclohexane)]-1,1'-diol
1216-0024 Screening compound: 4,4'-dipentyl-[1,1'-bi(cyclohexane)]-1,1'-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0024
4,4'-dipentyl-[1,1'-bi(cyclohexane)]-1,1'-diol

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

1216-0024

Molecular Formula

C22H42O2 (C22 H42 O2)

Compound Name

4,4'-dipentyl-[1,1'-bi(cyclohexane)]-1,1'-diol

IUPAC name

44'-dipentyl-[11'-bi(cyclohexane)]-11'-diol

SMILES

CCCCCC(CC1)CCC1(C1(CCC(CCCCC)CC1)O)O

InChI

InChI=1S/C22H42O2/c1-3-5-7-9-19-11-15-21(23,16-12-19)22(24)17-13-20(14-18-22)10-8-6-4-2/h19-20,23-24H,3-18H2,1-2H3

InChI Key

NETBJRDLYOPANE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.132

Distribution Coefficient, logD

7.132

Water Solubility, LogSw

-5.87

Polar Surface Area

30.562

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

1216-0024 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1216-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0024?
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What is the minimum amount of 1216-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0024
  • 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 1216-0024 available by request