8018-1946 Screening compound: 6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[2,3-b]pyridin-5-one

8018-1946 Screening compound: 6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[2,3-b]pyridin-5-one
8018-1946 Screening compound: 6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[2,3-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1946
6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[2,3-b]pyridin-5-one

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

8018-1946

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[2,3-b]pyridin-5-one

IUPAC name

6-(4-methylpiperazin-1-yl)-9-nitro-5H-thiochromeno[23-b]pyridin-5-one

SMILES

CN(CC1)CCN1c(c1c2Sc3ncccc3C1=O)ccc2[N+]([O-])=O

InChI

InChI=1S/C17H16N4O3S/c1-19-7-9-20(10-8-19)12-4-5-13(21(23)24)16-14(12)15(22)11-3-2-6-18-17(11)25-16/h2-6H,7-10H2,1H3

InChI Key

MNQDUPSJQFKTSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.99

Polar Surface Area

63.795

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8018-1946 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1946?
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What is the minimum amount of 8018-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1946
  • 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 8018-1946 available by request