Y206-9022 Screening compound: N~3~-{3-[(cyclopentylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-methyl-3-isoxazolecarboxamide

Y206-9022 Screening compound: N~3~-{3-[(cyclopentylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-methyl-3-isoxazolecarboxamide
Y206-9022 Screening compound: N~3~-{3-[(cyclopentylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-methyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-9022
N~3~-{3-[(cyclopentylamino)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-methyl-3-isoxazolecarboxamide

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

Y206-9022

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-[3-(cyclopentylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-5-methyl-12-oxazole-3-carboxamide

SMILES

Cc1cc(C(Nc2c(C(NC3CCCC3)=O)c(CCCC3)c3s2)=O)no1

InChI

InChI=1S/C19H23N3O3S/c1-11-10-14(22-25-11)17(23)21-19-16(13-8-4-5-9-15(13)26-19)18(24)20-12-6-2-3-7-12/h10,12H,2-9H2,1H3,(H,20,24)(H,21,23)

InChI Key

KIPUWLAFGFATCN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

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

3.786

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-4.13

Polar Surface Area

68.778

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

References: we are preparing a list of scientific research reports with Y206-9022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-9022?
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What is the minimum amount of Y206-9022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-9022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-9022
  • 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 Y206-9022 available by request