Y206-8457 Screening compound: 2-{[2-(2-thienyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Y206-8457 Screening compound: 2-{[2-(2-thienyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Y206-8457 Screening compound: 2-{[2-(2-thienyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-8457
2-{[2-(2-thienyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-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

Y206-8457

Molecular Formula

C16H18N2O2S2 (C16 H18 N2 O2 S2)

Compound Name

2-{[2-(2-thienyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

2-[2-(thiophen-2-yl)acetamido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(Cc2cccs2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C16H18N2O2S2/c17-15(20)14-11-6-2-1-3-7-12(11)22-16(14)18-13(19)9-10-5-4-8-21-10/h4-5,8H,1-3,6-7,9H2,(H2,17,20)(H,18,19)

InChI Key

ZJHUOQGPSLYHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.51

Polar Surface Area

58.239

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y206-8457 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 Y206-8457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-8457?
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What is the minimum amount of Y206-8457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-8457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-8457
  • 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 Y206-8457 available by request