1812-0711 Screening compound: 3-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

1812-0711 Screening compound: 3-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
1812-0711 Screening compound: 3-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0711
3-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

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

1812-0711

Molecular Formula

C23H19BrN2O3 (C23 H19 BrN2 O3)

Compound Name

3-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

IUPAC name

3-bromo-N-[4-(5-ethyl-13-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

SMILES

CCc(cc1)cc2c1oc(-c(cc1)ccc1NC(c(cc1)cc(Br)c1OC)=O)n2

InChI

InChI=1S/C23H19BrN2O3/c1-3-14-4-10-21-19(12-14)26-23(29-21)15-5-8-17(9-6-15)25-22(27)16-7-11-20(28-2)18(24)13-16/h4-13H,3H2,1-2H3,(H,25,27)

InChI Key

GCJNTEUXCPJYRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.842

Distribution Coefficient, logD

5.842

Water Solubility, LogSw

-5.52

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

1812-0711 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1812-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0711?
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What is the minimum amount of 1812-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0711
  • 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 1812-0711 available by request