D093-0360 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-amine

D093-0360 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-amine
D093-0360 Screening compound: N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0360
N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-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

D093-0360

Molecular Formula

C26H26N2O5S2 (C26 H26 N2 O5 S2)

Compound Name

N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-amine

IUPAC name

N-benzyl-4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-13-oxazol-5-amine

SMILES

Cc(cc1)ccc1S(CCc1nc(S(c2ccc(C)cc2)(=O)=O)c(NCc2ccccc2)o1)(=O)=O

InChI

InChI=1S/C26H26N2O5S2/c1-19-8-12-22(13-9-19)34(29,30)17-16-24-28-26(35(31,32)23-14-10-20(2)11-15-23)25(33-24)27-18-21-6-4-3-5-7-21/h3-15,27H,16-18H2,1-2H3

InChI Key

GAGLRUXKQHZENM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.62

Polar Surface Area

86.704

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D093-0360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D093-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0360?
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What is the minimum amount of D093-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0360
  • 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 D093-0360 available by request