3830-0882 Screening compound: 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

3830-0882 Screening compound: 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
3830-0882 Screening compound: 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3830-0882
2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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

3830-0882

Molecular Formula

C18H20N4O2S (C18 H20 N4 O2 S)

Compound Name

2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5678-tetrahydroquinoline-3-carbonitrile

SMILES

CCCCc(sc(-c(c(CCCC1)c1nc1N)c1C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H20N4O2S/c1-2-3-8-15-14(22(23)24)9-16(25-15)17-11-6-4-5-7-13(11)21-18(20)12(17)10-19/h9H,2-8H2,1H3,(H2,20,21)

InChI Key

RYQYZXJZFRJYGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-4.99

Polar Surface Area

81.856

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3830-0882 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3830-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3830-0882?
Check Price and Availability of 3830-0882, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3830-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3830-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3830-0882
  • 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 3830-0882 available by request