E773-0066 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide

E773-0066 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
E773-0066 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E773-0066
N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide

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

E773-0066

Molecular Formula

C24H18BrFN2O3 (C24 H18 BrFN2 O3)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-[5-methyl-4-(phenoxymethyl)-13-oxazol-2-yl]benzamide

SMILES

Cc1c(COc2ccccc2)nc(-c(cc2)ccc2C(Nc(ccc(Br)c2)c2F)=O)o1

InChI

InChI=1S/C24H18BrFN2O3/c1-15-22(14-30-19-5-3-2-4-6-19)28-24(31-15)17-9-7-16(8-10-17)23(29)27-21-12-11-18(25)13-20(21)26/h2-13H,14H2,1H3,(H,27,29)

InChI Key

LOAGHBSNEONDDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.774

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.54

Polar Surface Area

47.981

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E773-0066 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 E773-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E773-0066?
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What is the minimum amount of E773-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E773-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E773-0066
  • 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 E773-0066 available by request