3978-0064 Screening compound: 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid

3978-0064 Screening compound: 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid
3978-0064 Screening compound: 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3978-0064
4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic 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

3978-0064

Molecular Formula

C22H20BrClN4O3 (C22 H20 BrClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31)

InChI Key

CJWRZEGXLDKDGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03131277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

1.228

Water Solubility, LogSw

-4.17

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3978-0064 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 3978-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3978-0064?
Check Price and Availability of 3978-0064, 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 3978-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3978-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3978-0064
  • 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 3978-0064 available by request