3202-0458 Screening compound: 3-butyl-10-(4-chlorophenyl)-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

3202-0458 Screening compound: 3-butyl-10-(4-chlorophenyl)-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione
3202-0458 Screening compound: 3-butyl-10-(4-chlorophenyl)-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0458
3-butyl-10-(4-chlorophenyl)-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

3202-0458

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C1=Cc(cccc2)c2N(c(cc2)ccc2Cl)C1=N1)=O)C1=O

InChI

InChI=1S/C21H18ClN3O2/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

NECRYMIQCSTGMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

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

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.44

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

3202-0458 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3202-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0458?
Check Price and Availability of 3202-0458, 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 3202-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0458
  • 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 3202-0458 available by request