8013-0735 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-amine

8013-0735 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-amine
8013-0735 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0735
N-benzyl-4-(4-methylbenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-amine

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

8013-0735

Molecular Formula

C26H26N2O6S (C26 H26 N2 O6 S)

Compound Name

N-benzyl-4-(4-methylbenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-amine

IUPAC name

N-benzyl-4-(4-methylbenzenesulfonyl)-2-(345-trimethoxyphenyl)-13-oxazol-5-amine

SMILES

Cc(cc1)ccc1S(c1c(NCc2ccccc2)oc(-c(cc2OC)cc(OC)c2OC)n1)(=O)=O

InChI

InChI=1S/C26H26N2O6S/c1-17-10-12-20(13-11-17)35(29,30)26-25(27-16-18-8-6-5-7-9-18)34-24(28-26)19-14-21(31-2)23(33-4)22(15-19)32-3/h5-15,27H,16H2,1-4H3

InChI Key

WUMISQCXCWMHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.48

Polar Surface Area

80.980

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8013-0735 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0735?
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What is the minimum amount of 8013-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0735
  • 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 8013-0735 available by request