5223-1342 Screening compound: 5-[4-(diethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

5223-1342 Screening compound: 5-[4-(diethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
5223-1342 Screening compound: 5-[4-(diethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-1342
5-[4-(diethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

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

5223-1342

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

5-[4-(diethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

IUPAC name

5-[4-(diethylamino)phenyl]-13-dimethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CCN(CC)c1ccc(C(C(C(CCC2)=O)=C2N2)C(C(N3C)=O)=C2N(C)C3=O)cc1

InChI

InChI=1S/C23H28N4O3/c1-5-27(6-2)15-12-10-14(11-13-15)18-19-16(8-7-9-17(19)28)24-21-20(18)22(29)26(4)23(30)25(21)3/h10-13,18,24H,5-9H2,1-4H3/t18-/m1/s1

InChI Key

SRPGUXHGSCEGJH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03133207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-3.47

Polar Surface Area

58.096

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

5223-1342 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5223-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-1342?
Check Price and Availability of 5223-1342, 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 5223-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-1342
  • 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 5223-1342 available by request