Y206-9056 Screening compound: N~3~-{3-[(cyclopropylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}nicotinamide

Y206-9056 Screening compound: N~3~-{3-[(cyclopropylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}nicotinamide
Y206-9056 Screening compound: N~3~-{3-[(cyclopropylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-9056
N~3~-{3-[(cyclopropylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}nicotinamide

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

Y206-9056

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

N~3~-{3-[(cyclopropylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}nicotinamide

IUPAC name

N-[3-(cyclopropylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

SMILES

O=C(c1c(NC(c2cnccc2)=O)sc2c1CCCC2)NC1CC1

InChI

InChI=1S/C18H19N3O2S/c22-16(11-4-3-9-19-10-11)21-18-15(17(23)20-12-7-8-12)13-5-1-2-6-14(13)24-18/h3-4,9-10,12H,1-2,5-8H2,(H,20,23)(H,21,22)

InChI Key

CALLFWBQBJLJGU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

-0.163

Water Solubility, LogSw

-2.40

Polar Surface Area

57.032

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

Y206-9056 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-9056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-9056?
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What is the minimum amount of Y206-9056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-9056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-9056
  • 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 Y206-9056 available by request