8013-1347 Screening compound: methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate

8013-1347 Screening compound: methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate
8013-1347 Screening compound: methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1347
methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate

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

8013-1347

Molecular Formula

C14H23NO4 (C14 H23 NO4)

Compound Name

methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate

IUPAC name

methyl 2-cyclopentyl-2-{[(oxolan-2-yl)methyl]carbamoyl}acetate

SMILES

COC(C(C1CCCC1)C(NCC1OCCC1)=O)=O

InChI

InChI=1S/C14H23NO4/c1-18-14(17)12(10-5-2-3-6-10)13(16)15-9-11-7-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,16)

InChI Key

YVUQQXCYHUSPNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-1.14

Polar Surface Area

55.038

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.71

8013-1347 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8013-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1347?
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What is the minimum amount of 8013-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1347
  • 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 8013-1347 available by request