3049-0307 Screening compound: 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

3049-0307 Screening compound: 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide
3049-0307 Screening compound: 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3049-0307
2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

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

3049-0307

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

IUPAC name

2-(5-chloro-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)-N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}acetamide

SMILES

N#Cc1c(NC(CN(C(C2C3CC(Cl)=CC2)=O)C3=O)=O)sc2c1CCC2

InChI

InChI=1S/C18H16ClN3O3S/c19-9-4-5-11-12(6-9)18(25)22(17(11)24)8-15(23)21-16-13(7-20)10-2-1-3-14(10)26-16/h4,11-12H,1-3,5-6,8H2,(H,21,23)

InChI Key

PNYDIUBGKFKCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01877324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.62

Polar Surface Area

69.970

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

3049-0307 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3049-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3049-0307?
Check Price and Availability of 3049-0307, 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 3049-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3049-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3049-0307
  • 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 3049-0307 available by request