C095-0077 Screening compound: N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-5-NITROFURAN-2-CARBOXAMIDE

C095-0077 Screening compound: N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-5-NITROFURAN-2-CARBOXAMIDE
C095-0077 Screening compound: N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-5-NITROFURAN-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0077
N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-5-NITROFURAN-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

C095-0077

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-5-NITROFURAN-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(cc(cc2)NC(c3ccc([N+]([O-])=O)o3)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C20H20N4O4/c1-13-11-18(23-9-3-2-4-10-23)22-16-6-5-14(12-15(13)16)21-20(25)17-7-8-19(28-17)24(26)27/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,25)

InChI Key

DLHHEQVUBQYXOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.48

Polar Surface Area

77.237

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C095-0077 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C095-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0077?
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What is the minimum amount of C095-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0077
  • 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 C095-0077 available by request