D027-0043 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-3-phenylpropanamide

D027-0043 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-3-phenylpropanamide
D027-0043 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D027-0043
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-3-phenylpropanamide

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

D027-0043

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

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

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(4-methoxyphenyl)-3-phenylpropanamide

SMILES

COc(cc1)ccc1NC(C(Cc1ccccc1)N(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C25H24N2O4/c1-31-19-11-9-18(10-12-19)26-23(28)20(13-15-5-3-2-4-6-15)27-24(29)21-16-7-8-17(14-16)22(21)25(27)30/h2-12,16-17,20-22H,13-14H2,1H3,(H,26,28)

InChI Key

CJRBEPKBGJUMOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.58

Polar Surface Area

59.896

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with D027-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D027-0043?
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What is the minimum amount of D027-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D027-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D027-0043
  • 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 D027-0043 available by request