3130-0115 Screening compound: (2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide

3130-0115 Screening compound: (2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
3130-0115 Screening compound: (2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-0115
(2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide

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

3130-0115

Molecular Formula

C15H15ClN2O2 (C15 H15 ClN2 O2)

Compound Name

(2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide

IUPAC name

(2E)-3-(4-chlorophenyl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide

SMILES

N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)ccc1Cl

InChI

InChI=1S/C15H15ClN2O2/c16-13-5-3-11(4-6-13)8-12(9-17)15(19)18-10-14-2-1-7-20-14/h3-6,8,14H,1-2,7,10H2,(H,18,19)/t14-/m1/s1

InChI Key

MOHHTCDPZACBRY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01163178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.49

Polar Surface Area

50.362

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3130-0115 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3130-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-0115?
Check Price and Availability of 3130-0115, 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 3130-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-0115
  • 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 3130-0115 available by request