1416-0120 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one

1416-0120 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one
1416-0120 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1416-0120
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one

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

1416-0120

Molecular Formula

C18H12N2O3 (C18 H12 N2 O3)

Compound Name

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one

IUPAC name

3-[5-(4-methylphenyl)-134-oxadiazol-2-yl]-2H-chromen-2-one

SMILES

Cc(cc1)ccc1-c1nnc(C2=Cc(cccc3)c3OC2=O)o1

InChI

InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3

InChI Key

BYOVHLGRJGKKNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01237987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.71

Polar Surface Area

51.404

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1416-0120 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1416-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1416-0120?
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What is the minimum amount of 1416-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1416-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1416-0120
  • 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 1416-0120 available by request