0868-0370 Screening compound: 1,4-bis(4-methylphenyl) benzene-1,4-dicarboxylate

0868-0370 Screening compound: 1,4-bis(4-methylphenyl) benzene-1,4-dicarboxylate
0868-0370 Screening compound: 1,4-bis(4-methylphenyl) benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0370
1,4-bis(4-methylphenyl) benzene-1,4-dicarboxylate

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

0868-0370

Molecular Formula

C22H18O4 (C22 H18 O4)

Compound Name

1,4-bis(4-methylphenyl) benzene-1,4-dicarboxylate

IUPAC name

14-bis(4-methylphenyl) benzene-14-dicarboxylate

SMILES

Cc(cc1)ccc1OC(c(cc1)ccc1C(Oc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C22H18O4/c1-15-3-11-19(12-4-15)25-21(23)17-7-9-18(10-8-17)22(24)26-20-13-5-16(2)6-14-20/h3-14H,1-2H3

InChI Key

XOGHUKBCGNLXOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.24

Polar Surface Area

40.994

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0868-0370 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 0868-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0370?
Check Price and Availability of 0868-0370, 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 0868-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0370
  • 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 0868-0370 available by request