8013-5577 Screening compound: 7,7-dimethyl-5-(pyridin-3-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione

8013-5577 Screening compound: 7,7-dimethyl-5-(pyridin-3-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione
8013-5577 Screening compound: 7,7-dimethyl-5-(pyridin-3-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5577
7,7-dimethyl-5-(pyridin-3-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-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

8013-5577

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)(CC(C1c2cnccc2)=C2NC(NC(N3)=O)=C1C3=O)CC2=O

InChI

InChI=1S/C18H18N4O3/c1-18(2)6-10-12(9-4-3-5-19-8-9)13-15(20-14(10)11(23)7-18)21-17(25)22-16(13)24/h3-5,8,12H,6-7H2,1-2H3,(H3,20,21,22,24,25)/t12-/m0/s1

InChI Key

VUTCVVANBWWSDL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03766685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.738

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-1.18

Polar Surface Area

81.647

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8013-5577 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-5577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5577?
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What is the minimum amount of 8013-5577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5577
  • 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 8013-5577 available by request