3914-0130 Screening compound: 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic acid

3914-0130 Screening compound: 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic acid
3914-0130 Screening compound: 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3914-0130
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic 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

3914-0130

Molecular Formula

C17H14BrN3O2 (C17 H14 BrN3 O2)

Compound Name

3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic acid

IUPAC name

3-[(6-bromo-4-phenylquinazolin-2-yl)amino]propanoic acid

SMILES

OC(CCNc1nc(-c2ccccc2)c(cc(cc2)Br)c2n1)=O

InChI

InChI=1S/C17H14BrN3O2/c18-12-6-7-14-13(10-12)16(11-4-2-1-3-5-11)21-17(20-14)19-9-8-15(22)23/h1-7,10H,8-9H2,(H,22,23)(H,19,20,21)

InChI Key

RDOHZEGBSDXWQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02578697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-3.82

Polar Surface Area

58.889

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3914-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3914-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3914-0130?
Check Price and Availability of 3914-0130, 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 3914-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3914-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3914-0130
  • 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 3914-0130 available by request