1000-0512 Screening compound: 4-butoxy-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

1000-0512 Screening compound: 4-butoxy-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide
1000-0512 Screening compound: 4-butoxy-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0512
4-butoxy-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

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

1000-0512

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

4-butoxy-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

IUPAC name

4-butoxy-N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}benzamide

SMILES

CCCCOc(cc1)ccc1C(Nc(sc1c2CCC1)c2C#N)=O

InChI

InChI=1S/C19H20N2O2S/c1-2-3-11-23-14-9-7-13(8-10-14)18(22)21-19-16(12-20)15-5-4-6-17(15)24-19/h7-10H,2-6,11H2,1H3,(H,21,22)

InChI Key

SNMIDLUKOAVOFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-4.44

Polar Surface Area

47.885

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

1000-0512 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1000-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0512?
Check Price and Availability of 1000-0512, 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 1000-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0512
  • 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 1000-0512 available by request