1680-0098 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

1680-0098 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
1680-0098 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1680-0098
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

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

1680-0098

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

IUPAC name

N-[3-(5-chloro-13-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1cccc(-c2nc(cc(cc3)Cl)c3o2)c1)=O

InChI

InChI=1S/C22H17ClN2O3/c1-2-27-18-9-6-14(7-10-18)21(26)24-17-5-3-4-15(12-17)22-25-19-13-16(23)8-11-20(19)28-22/h3-13H,2H2,1H3,(H,24,26)

InChI Key

DYXNQZCVXRGJOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

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

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.98

Polar Surface Area

47.263

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 1680-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1680-0098?
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What is the minimum amount of 1680-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1680-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1680-0098
  • 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 1680-0098 available by request