3257-4812 Screening compound: 2-cyano-4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenoxy]phenyl cyanide

3257-4812 Screening compound: 2-cyano-4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenoxy]phenyl cyanide
3257-4812 Screening compound: 2-cyano-4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenoxy]phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4812
2-cyano-4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenoxy]phenyl cyanide

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

3257-4812

Molecular Formula

C23H15N3O3 (C23 H15 N3 O3)

Compound Name

2-cyano-4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenoxy]phenyl cyanide

IUPAC name

4-(4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}phenoxy)benzene-12-dicarbonitrile

SMILES

N#Cc(ccc(Oc(cc1)ccc1N(C(C1C2C3C=CC1C3)=O)C2=O)c1)c1C#N

InChI

InChI=1S/C23H15N3O3/c24-11-15-3-6-19(10-16(15)12-25)29-18-7-4-17(5-8-18)26-22(27)20-13-1-2-14(9-13)21(20)23(26)28/h1-8,10,13-14,20-21H,9H2

InChI Key

FRCDGJNESATUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-3.06

Polar Surface Area

70.585

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3257-4812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4812?
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What is the minimum amount of 3257-4812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4812
  • 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 3257-4812 available by request