C034-0002 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)butanamide

C034-0002 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)butanamide
C034-0002 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0002
N~1~-(2,4-dimethoxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)butanamide

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

C034-0002

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

N~1~-(2,4-dimethoxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)butanamide

IUPAC name

N-(24-dimethoxyphenyl)-4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}butanamide

SMILES

COc(cc1)cc(OC)c1NC(CCCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C21H24N2O5/c1-27-14-7-8-15(16(11-14)28-2)22-17(24)4-3-9-23-20(25)18-12-5-6-13(10-12)19(18)21(23)26/h5-8,11-13,18-19H,3-4,9-10H2,1-2H3,(H,22,24)

InChI Key

VBIGSIOZBVFIGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.976

Distribution Coefficient, logD

0.976

Water Solubility, LogSw

-2.11

Polar Surface Area

67.940

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.60

C034-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C034-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C034-0002?
Check Price and Availability of C034-0002, 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 C034-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0002
  • 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 C034-0002 available by request