8020-3968 Screening compound: 5-[(1,3-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

8020-3968 Screening compound: 5-[(1,3-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
8020-3968 Screening compound: 5-[(1,3-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3968
5-[(1,3-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

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

8020-3968

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

5-[(1,3-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

IUPAC name

5-[(13-benzoxazol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]-45-dihydro-12-oxazole-3-carboxamide

SMILES

COc1c(CNC(C2=NOC(Cc3nc(cccc4)c4o3)C2)=O)cccc1

InChI

InChI=1S/C20H19N3O4/c1-25-17-8-4-2-6-13(17)12-21-20(24)16-10-14(27-23-16)11-19-22-15-7-3-5-9-18(15)26-19/h2-9,14H,10-12H2,1H3,(H,21,24)/t14-/m0/s1

InChI Key

BCAKTMCRJXOKFI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD25975568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.64

Polar Surface Area

71.866

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-3968 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8020-3968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3968?
Check Price and Availability of 8020-3968, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-3968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3968
  • 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 8020-3968 available by request