C117-0171 Screening compound: 2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C117-0171 Screening compound: 2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C117-0171 Screening compound: 2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-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 C117-0171
2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-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

C117-0171

Molecular Formula

C19H21N3O2S2 (C19 H21 N3 O2 S2)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)-88-dimethyl-5-(thiophen-2-yl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CCSC(N1)=NC(NC(CC(C)(C)C2)=C(C3c4cccs4)C2=O)=C3C1=O

InChI

InChI=1S/C19H21N3O2S2/c1-4-25-18-21-16-15(17(24)22-18)14(12-6-5-7-26-12)13-10(20-16)8-19(2,3)9-11(13)23/h5-7,14H,4,8-9H2,1-3H3,(H2,20,21,22,24)/t14-/m0/s1

InChI Key

MOINVYZUWKEWSJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04213107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-3.29

Polar Surface Area

58.640

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C117-0171 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C117-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0171?
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What is the minimum amount of C117-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0171
  • 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 C117-0171 available by request