F387-0021 Screening compound: 2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-3,4-dihydroquinazolin-4-one

F387-0021 Screening compound: 2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-3,4-dihydroquinazolin-4-one
F387-0021 Screening compound: 2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F387-0021
2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-3,4-dihydroquinazolin-4-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

F387-0021

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-methyl-3-({5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-124-oxadiazol-3-yl}methyl)-34-dihydroquinazolin-4-one

SMILES

Cc(cc1)ccc1N(CC(C1)c2nc(CN(C(C)=Nc3c4cccc3)C4=O)no2)C1=O

InChI

InChI=1S/C23H21N5O3/c1-14-7-9-17(10-8-14)28-12-16(11-21(28)29)22-25-20(26-31-22)13-27-15(2)24-19-6-4-3-5-18(19)23(27)30/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1

InChI Key

OPKIHTQRCFUJOK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27122028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.33

Polar Surface Area

73.803

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F387-0021 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F387-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F387-0021?
Check Price and Availability of F387-0021, 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 F387-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F387-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F387-0021
  • 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 F387-0021 available by request