Y207-3079 Screening compound: 1-benzothiophen-3-yl(1-pyrrolidinyl)methanone

Y207-3079 Screening compound: 1-benzothiophen-3-yl(1-pyrrolidinyl)methanone
Y207-3079 Screening compound: 1-benzothiophen-3-yl(1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-3079
1-benzothiophen-3-yl(1-pyrrolidinyl)methanone

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

Y207-3079

Molecular Formula

C13H13NOS (C13 H13 NOS)

Compound Name

1-benzothiophen-3-yl(1-pyrrolidinyl)methanone

IUPAC name

1-(1-benzothiophene-3-carbonyl)pyrrolidine

SMILES

O=C(c1csc2c1cccc2)N1CCCC1

InChI

InChI=1S/C13H13NOS/c15-13(14-7-3-4-8-14)11-9-16-12-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2

InChI Key

YASXSIUQGCBYTP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.32

Polar Surface Area

17.999

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

Y207-3079 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 Y207-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-3079?
Check Price and Availability of Y207-3079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y207-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-3079
  • 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 Y207-3079 available by request