1812-0607 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide

1812-0607 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide
1812-0607 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0607
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide

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

1812-0607

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(Nc1cc(-c2nc(cccc3)c3o2)ccc1)=O

InChI

InChI=1S/C24H22N2O3/c1-2-3-15-28-20-13-11-17(12-14-20)23(27)25-19-8-6-7-18(16-19)24-26-21-9-4-5-10-22(21)29-24/h4-14,16H,2-3,15H2,1H3,(H,25,27)

InChI Key

GUGOWIBXAUGUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.214

Distribution Coefficient, logD

6.214

Water Solubility, LogSw

-5.41

Polar Surface Area

47.558

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1812-0607 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1812-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0607?
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What is the minimum amount of 1812-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0607
  • 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 1812-0607 available by request