0074-0010 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}benzoate

0074-0010 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}benzoate
0074-0010 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0010
5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}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

0074-0010

Molecular Formula

C36H50O4 (C36 H50 O4)

Compound Name

5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}benzoate

IUPAC name

5-methyl-2-(propan-2-yl)cyclohexyl 4-{2-[4-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)phenyl]ethyl}benzoate

SMILES

CC(C)C(CCC(C)C1)C1OC(c1ccc(CCc(cc2)ccc2C(OC(CC(C)CC2)C2C(C)C)=O)cc1)=O

InChI

InChI=1S/C36H50O4/c1-23(2)31-19-7-25(5)21-33(31)39-35(37)29-15-11-27(12-16-29)9-10-28-13-17-30(18-14-28)36(38)40-34-22-26(6)8-20-32(34)24(3)4/h11-18,23-26,31-34H,7-10,19-22H2,1-6H3

InChI Key

IEZCNUHOPMMWJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

11.419

Distribution Coefficient, logD

11.419

Water Solubility, LogSw

-5.90

Polar Surface Area

40.021

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

61.10

0074-0010 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0074-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0010?
Check Price and Availability of 0074-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0074-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0010
  • 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 0074-0010 available by request