5867-0106 Screening compound: 3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

5867-0106 Screening compound: 3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
5867-0106 Screening compound: 3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-0106
3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

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

5867-0106

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-N-[(2H-13-benzodioxol-5-yl)methyl]-4-ethyl-77-dimethyl-5-oxo-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

CCc1c(c(N)c(C(NCc(cc2)cc3c2OCO3)=O)s2)c2nc(CC(C)(C)C2)c1C2=O

InChI

InChI=1S/C24H25N3O4S/c1-4-13-18-14(8-24(2,3)9-15(18)28)27-23-19(13)20(25)21(32-23)22(29)26-10-12-5-6-16-17(7-12)31-11-30-16/h5-7H,4,8-11,25H2,1-3H3,(H,26,29)

InChI Key

OAVMWGIQQRUALZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.94

Polar Surface Area

85.543

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5867-0106 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5867-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-0106?
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What is the minimum amount of 5867-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-0106
  • 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 5867-0106 available by request