4137-1395 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-dimethoxybenzamide

4137-1395 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-dimethoxybenzamide
4137-1395 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-1395
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-dimethoxybenzamide

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

4137-1395

Molecular Formula

C22H18N2O4 (C22 H18 N2 O4)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-dimethoxybenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc2cc(-c3nc(cccc4)c4o3)ccc2)=O)cc(OC)c1

InChI

InChI=1S/C22H18N2O4/c1-26-17-11-15(12-18(13-17)27-2)21(25)23-16-7-5-6-14(10-16)22-24-19-8-3-4-9-20(19)28-22/h3-13H,1-2H3,(H,23,25)

InChI Key

KGIFQAVGESOBAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.047

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.73

Polar Surface Area

55.227

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 4137-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-1395?
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What is the minimum amount of 4137-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-1395
  • 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 4137-1395 available by request