2501-0890 Screening compound: ethyl 2-[2-(dipropylamino)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

2501-0890 Screening compound: ethyl 2-[2-(dipropylamino)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
2501-0890 Screening compound: ethyl 2-[2-(dipropylamino)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2501-0890
ethyl 2-[2-(dipropylamino)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

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

2501-0890

Molecular Formula

C20H32N2O3S (C20 H32 N2 O3 S)

Compound Name

ethyl 2-[2-(dipropylamino)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(dipropylamino)acetamido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCCN(CCC)CC(Nc1c(C(OCC)=O)c(CCCCC2)c2s1)=O

InChI

InChI=1S/C20H32N2O3S/c1-4-12-22(13-5-2)14-17(23)21-19-18(20(24)25-6-3)15-10-8-7-9-11-16(15)26-19/h4-14H2,1-3H3,(H,21,23)

InChI Key

KFTGZRVNIVFWFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01177077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-4.68

Polar Surface Area

48.127

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

2501-0890 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2501-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2501-0890?
Check Price and Availability of 2501-0890, 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 2501-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2501-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2501-0890
  • 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 2501-0890 available by request