8018-7320 Screening compound: 4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate

8018-7320 Screening compound: 4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate
8018-7320 Screening compound: 4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7320
4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate

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

8018-7320

Molecular Formula

C29H25NO5S (C29 H25 NO5 S)

Compound Name

4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate

IUPAC name

4-[N-(4-methylbenzenesulfonyl)4-methylbenzamido]phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(N(c(cc1)ccc1OC(c1ccc(C)cc1)=O)S(c1ccc(C)cc1)(=O)=O)=O

InChI

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

InChI Key

VTGRVCRMHNRQEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193074

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

6.334

Distribution Coefficient, logD

6.334

Water Solubility, LogSw

-5.61

Polar Surface Area

65.924

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-15.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8018-7320 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 8018-7320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7320?
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What is the minimum amount of 8018-7320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7320
  • 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 8018-7320 available by request