C117-0030 Screening compound: 2-(ethylsulfanyl)-5-(2-methoxyphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C117-0030 Screening compound: 2-(ethylsulfanyl)-5-(2-methoxyphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C117-0030 Screening compound: 2-(ethylsulfanyl)-5-(2-methoxyphenyl)-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 C117-0030
2-(ethylsulfanyl)-5-(2-methoxyphenyl)-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

C117-0030

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

2-(ethylsulfanyl)-5-(2-methoxyphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

2-(ethylsulfanyl)-5-(2-methoxyphenyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CCSC(N1)=NC(NC(CCC2)=C(C3c(cccc4)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C20H21N3O3S/c1-3-27-20-22-18-17(19(25)23-20)15(11-7-4-5-10-14(11)26-2)16-12(21-18)8-6-9-13(16)24/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H2,21,22,23,25)/t15-/m1/s1

InChI Key

JAYZOGUEWXGPNN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04457245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.58

Polar Surface Area

65.252

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C117-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0030?
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What is the minimum amount of C117-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0030
  • 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 C117-0030 available by request