3914-0125 Screening compound: (2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid

3914-0125 Screening compound: (2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid
3914-0125 Screening compound: (2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3914-0125
(2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic 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

3914-0125

Molecular Formula

C22H19BrN4O3 (C22 H19 BrN4 O3)

Compound Name

(2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid

IUPAC name

(2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid

SMILES

OC(/C=C\C(N(CC1)CCN1c1nc(-c2ccccc2)c(cc(cc2)Br)c2n1)=O)=O

InChI

InChI=1S/C22H19BrN4O3/c23-16-6-7-18-17(14-16)21(15-4-2-1-3-5-15)25-22(24-18)27-12-10-26(11-13-27)19(28)8-9-20(29)30/h1-9,14H,10-13H2,(H,29,30)

InChI Key

NIMDZQMFRBMHIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

0.248

Water Solubility, LogSw

-4.23

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3914-0125 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3914-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3914-0125?
Check Price and Availability of 3914-0125, 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 3914-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3914-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3914-0125
  • 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 3914-0125 available by request