3202-0463 Screening compound: 10-(4-bromophenyl)-3-butyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

3202-0463 Screening compound: 10-(4-bromophenyl)-3-butyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione
3202-0463 Screening compound: 10-(4-bromophenyl)-3-butyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0463
10-(4-bromophenyl)-3-butyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

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

3202-0463

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

10-(4-bromophenyl)-3-butyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

IUPAC name

10-(4-bromophenyl)-3-butyl-2H3H4H10H-pyrimido[45-b]quinoline-24-dione

SMILES

CCCCN(C(C1=Cc(cccc2)c2N(c(cc2)ccc2Br)C1=N1)=O)C1=O

InChI

InChI=1S/C21H18BrN3O2/c1-2-3-12-24-20(26)17-13-14-6-4-5-7-18(14)25(19(17)23-21(24)27)16-10-8-15(22)9-11-16/h4-11,13H,2-3,12H2,1H3

InChI Key

YHGGRYGWOVDJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.12

Polar Surface Area

39.371

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3202-0463 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with 3202-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0463?
Check Price and Availability of 3202-0463, 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 3202-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0463
  • 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 3202-0463 available by request