C066-5082 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

C066-5082 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide
C066-5082 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5082
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

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

C066-5082

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}acetamide

SMILES

COc(ccc(CCNC(CN(C=Nc1c2cc(CCCC3)c3n1)C2=O)=O)c1)c1OC

InChI

InChI=1S/C23H26N4O4/c1-30-19-8-7-15(11-20(19)31-2)9-10-24-21(28)13-27-14-25-22-17(23(27)29)12-16-5-3-4-6-18(16)26-22/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,24,28)

InChI Key

RPNJSFZTGBNMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.751

Water Solubility, LogSw

-2.62

Polar Surface Area

76.526

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C066-5082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-5082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5082?
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What is the minimum amount of C066-5082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5082
  • 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 C066-5082 available by request