E773-0531 Screening compound: 2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline

E773-0531 Screening compound: 2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline
E773-0531 Screening compound: 2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E773-0531
2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline

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

E773-0531

Molecular Formula

C28H26N2O3 (C28 H26 N2 O3)

Compound Name

2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-13-oxazol-2-yl}benzoyl)-1234-tetrahydroisoquinoline

SMILES

Cc1c(COc2ccc(C)cc2)nc(-c(cc2)ccc2C(N(CC2)Cc3c2cccc3)=O)o1

InChI

InChI=1S/C28H26N2O3/c1-19-7-13-25(14-8-19)32-18-26-20(2)33-27(29-26)22-9-11-23(12-10-22)28(31)30-16-15-21-5-3-4-6-24(21)17-30/h3-14H,15-18H2,1-2H3

InChI Key

YRDQHEVMUXJEJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.28

Polar Surface Area

41.898

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E773-0531 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 E773-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E773-0531?
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What is the minimum amount of E773-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E773-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E773-0531
  • 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 E773-0531 available by request