C202-1586 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-1586 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-1586 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1586
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-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

C202-1586

Molecular Formula

C24H30N4O3S (C24 H30 N4 O3 S)

Compound Name

2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-88-dimethyl-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCCN(C)C)=C(C3c(cccc4)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C24H30N4O3S/c1-24(2)12-15-19(16(29)13-24)18(14-8-6-7-9-17(14)31-5)20-21(25-15)26-23(27-22(20)30)32-11-10-28(3)4/h6-9,18H,10-13H2,1-5H3,(H2,25,26,27,30)/t18-/m1/s1

InChI Key

TTZHBLXYVBJWNV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14730506

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.15

Polar Surface Area

69.118

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C202-1586 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-1586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1586?
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What is the minimum amount of C202-1586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1586
  • 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 C202-1586 available by request