2075-0198 Screening compound: 4-cyclohexylphenyl 3-bromo-4-methoxybenzoate

2075-0198 Screening compound: 4-cyclohexylphenyl 3-bromo-4-methoxybenzoate
2075-0198 Screening compound: 4-cyclohexylphenyl 3-bromo-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2075-0198
4-cyclohexylphenyl 3-bromo-4-methoxybenzoate

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

2075-0198

Molecular Formula

C20H21BrO3 (C20 H21 BrO3)

Compound Name

4-cyclohexylphenyl 3-bromo-4-methoxybenzoate

IUPAC name

4-cyclohexylphenyl 3-bromo-4-methoxybenzoate

SMILES

COc(ccc(C(Oc1ccc(C2CCCCC2)cc1)=O)c1)c1Br

InChI

InChI=1S/C20H21BrO3/c1-23-19-12-9-16(13-18(19)21)20(22)24-17-10-7-15(8-11-17)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3

InChI Key

BSOLTNOFCIIVPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.151

Distribution Coefficient, logD

6.151

Water Solubility, LogSw

-5.52

Polar Surface Area

28.167

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 2075-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2075-0198?
Check Price and Availability of 2075-0198, 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 2075-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2075-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2075-0198
  • 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 2075-0198 available by request