C117-0151 Screening compound: 8,8-DIMETHYL-2-(METHYLSULFANYL)-5-(PYRIDIN-4-YL)-3H,4H,5H,6H,7H,8H,9H,10H-PYRIMIDO[4,5-B]QUINOLINE-4,6-DIONE

C117-0151 Screening compound: 8,8-DIMETHYL-2-(METHYLSULFANYL)-5-(PYRIDIN-4-YL)-3H,4H,5H,6H,7H,8H,9H,10H-PYRIMIDO[4,5-B]QUINOLINE-4,6-DIONE
C117-0151 Screening compound: 8,8-DIMETHYL-2-(METHYLSULFANYL)-5-(PYRIDIN-4-YL)-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 C117-0151
8,8-DIMETHYL-2-(METHYLSULFANYL)-5-(PYRIDIN-4-YL)-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

C117-0151

Molecular Formula

C19H20N4O2S (C19 H20 N4 O2 S)

Compound Name

8,8-DIMETHYL-2-(METHYLSULFANYL)-5-(PYRIDIN-4-YL)-3H,4H,5H,6H,7H,8H,9H,10H-PYRIMIDO[4,5-B]QUINOLINE-4,6-DIONE

IUPAC name

n/a

SMILES

CC(C)(C1)CC(NC(N=C(N2)SC)=C(C3c4ccncc4)C2=O)=C3C1=O

InChI

InChI=1S/C19H20N4O2S/c1-19(2)8-11-14(12(24)9-19)13(10-4-6-20-7-5-10)15-16(21-11)22-18(26-3)23-17(15)25/h4-7,13H,8-9H2,1-3H3,(H2,21,22,23,25)/t13-/m1/s1

InChI Key

TYBFZGJHKXHJGN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD04212714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

-0.452

Water Solubility, LogSw

-2.05

Polar Surface Area

67.050

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with C117-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0151?
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What is the minimum amount of C117-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0151
  • 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 C117-0151 available by request