3978-0026 Screening compound: 5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-5-oxopentanoic acid

3978-0026 Screening compound: 5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-5-oxopentanoic acid
3978-0026 Screening compound: 5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3978-0026
5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-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

3978-0026

Molecular Formula

C23H22BrClN4O3 (C23 H22 BrClN4 O3)

Compound Name

5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-5-oxopentanoic acid

IUPAC name

5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-5-oxopentanoic acid

SMILES

OC(CCCC(N(CC1)CCN1c1nc(-c(cccc2)c2Cl)c(cc(cc2)Br)c2n1)=O)=O

InChI

InChI=1S/C23H22BrClN4O3/c24-15-8-9-19-17(14-15)22(16-4-1-2-5-18(16)25)27-23(26-19)29-12-10-28(11-13-29)20(30)6-3-7-21(31)32/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,31,32)

InChI Key

FMKBEPTZEPGVEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03131276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.81

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

4.330

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-4.21

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3978-0026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
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 3978-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3978-0026?
Check Price and Availability of 3978-0026, 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 3978-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3978-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3978-0026
  • 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 3978-0026 available by request