3978-0005 Screening compound: 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

3978-0005 Screening compound: 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid
3978-0005 Screening compound: 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3978-0005
5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

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

3978-0005

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

IUPAC name

5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

SMILES

Cc1ccc2nc(N(CC3)CCN3C(CCCC(O)=O)=O)nc(-c3ccccc3)c2c1

InChI

InChI=1S/C24H26N4O3/c1-17-10-11-20-19(16-17)23(18-6-3-2-4-7-18)26-24(25-20)28-14-12-27(13-15-28)21(29)8-5-9-22(30)31/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,31)

InChI Key

SVVDOBNDTHUGEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

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

3.428

Distribution Coefficient, logD

0.830

Water Solubility, LogSw

-3.61

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3978-0005 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3978-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3978-0005?
Check Price and Availability of 3978-0005, 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 3978-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3978-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3978-0005
  • 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 3978-0005 available by request