0814-0008 Screening compound: 4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate

0814-0008 Screening compound: 4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate
0814-0008 Screening compound: 4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0814-0008
4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate

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

0814-0008

Molecular Formula

C28H42O4 (C28 H42 O4)

Compound Name

4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate

IUPAC name

4-(4-tert-butylcyclohexanecarbonyloxy)phenyl 4-tert-butylcyclohexane-1-carboxylate

SMILES

CC(C)(C)C(CC1)CCC1C(Oc(cc1)ccc1OC(C(CC1)CCC1C(C)(C)C)=O)=O

InChI

InChI=1S/C28H42O4/c1-27(2,3)21-11-7-19(8-12-21)25(29)31-23-15-17-24(18-16-23)32-26(30)20-9-13-22(14-10-20)28(4,5)6/h15-22H,7-14H2,1-6H3

InChI Key

DUXRLKLUVGBJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00326906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.726

Distribution Coefficient, logD

9.726

Water Solubility, LogSw

-5.86

Polar Surface Area

41.378

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

0814-0008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0814-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0814-0008?
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What is the minimum amount of 0814-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0814-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0814-0008
  • 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 0814-0008 available by request