3729-2404 Screening compound: N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide

3729-2404 Screening compound: N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
3729-2404 Screening compound: N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2404
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)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

3729-2404

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide

IUPAC name

N-[2-(3-chlorophenyl)-13-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc(cc1)cc2c1oc(-c1cccc(Cl)c1)n2)=O

InChI

InChI=1S/C24H21ClN2O3/c1-15(2)14-29-20-9-6-16(7-10-20)23(28)26-19-8-11-22-21(13-19)27-24(30-22)17-4-3-5-18(25)12-17/h3-13,15H,14H2,1-2H3,(H,26,28)

InChI Key

YJKSHUMGEOVWHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

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

6.411

Distribution Coefficient, logD

6.411

Water Solubility, LogSw

-6.39

Polar Surface Area

47.639

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3729-2404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2404?
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What is the minimum amount of 3729-2404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2404
  • 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 3729-2404 available by request