8018-7316 Screening compound: 4-[N-(2,4,5-trimethylbenzenesulfonyl)benzamido]phenyl benzoate

8018-7316 Screening compound: 4-[N-(2,4,5-trimethylbenzenesulfonyl)benzamido]phenyl benzoate
8018-7316 Screening compound: 4-[N-(2,4,5-trimethylbenzenesulfonyl)benzamido]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7316
4-[N-(2,4,5-trimethylbenzenesulfonyl)benzamido]phenyl 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

8018-7316

Molecular Formula

C29H25NO5S (C29 H25 NO5 S)

Compound Name

4-[N-(2,4,5-trimethylbenzenesulfonyl)benzamido]phenyl benzoate

IUPAC name

4-[N-(245-trimethylbenzenesulfonyl)benzamido]phenyl benzoate

SMILES

Cc(c(C)c1)cc(C)c1S(N(C(c1ccccc1)=O)c(cc1)ccc1OC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C29H25NO5S/c1-20-18-22(3)27(19-21(20)2)36(33,34)30(28(31)23-10-6-4-7-11-23)25-14-16-26(17-15-25)35-29(32)24-12-8-5-9-13-24/h4-19H,1-3H3

InChI Key

RIQKZCZAVQNXPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.213

Distribution Coefficient, logD

6.213

Water Solubility, LogSw

-5.58

Polar Surface Area

65.924

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-14.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 8018-7316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7316?
Check Price and Availability of 8018-7316, 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 8018-7316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7316
  • 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 8018-7316 available by request