4161-2633 Screening compound: methyl 5-[(2-oxocyclopentyl)methyl]furan-2-carboxylate

4161-2633 Screening compound: methyl 5-[(2-oxocyclopentyl)methyl]furan-2-carboxylate
4161-2633 Screening compound: methyl 5-[(2-oxocyclopentyl)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2633
methyl 5-[(2-oxocyclopentyl)methyl]furan-2-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

4161-2633

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

methyl 5-[(2-oxocyclopentyl)methyl]furan-2-carboxylate

IUPAC name

methyl 5-[(2-oxocyclopentyl)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(CC(CCC2)C2=O)o1)=O

InChI

InChI=1S/C12H14O4/c1-15-12(14)11-6-5-9(16-11)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1

InChI Key

PLTMWDJLYFXKEE-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD02766512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.28

Polar Surface Area

42.788

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4161-2633 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4161-2633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2633?
Check Price and Availability of 4161-2633, 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 4161-2633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2633
  • 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 4161-2633 available by request