2950-0684 Screening compound: 4-(4-METHOXYPHENYL)-5-[2-(PYRROLIDIN-1-YL)ETHYL]-2,5,7-TRIAZATRICYCLO[6.4.0.0²,⁶]DODECA-1(12),3,6,8,10-PENTAENE

2950-0684 Screening compound: 4-(4-METHOXYPHENYL)-5-[2-(PYRROLIDIN-1-YL)ETHYL]-2,5,7-TRIAZATRICYCLO[6.4.0.0²,⁶]DODECA-1(12),3,6,8,10-PENTAENE
2950-0684 Screening compound: 4-(4-METHOXYPHENYL)-5-[2-(PYRROLIDIN-1-YL)ETHYL]-2,5,7-TRIAZATRICYCLO[6.4.0.0²,⁶]DODECA-1(12),3,6,8,10-PENTAENE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2950-0684
4-(4-METHOXYPHENYL)-5-[2-(PYRROLIDIN-1-YL)ETHYL]-2,5,7-TRIAZATRICYCLO[6.4.0.0²,⁶]DODECA-1(12),3,6,8,10-PENTAENE

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

2950-0684

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

4-(4-METHOXYPHENYL)-5-[2-(PYRROLIDIN-1-YL)ETHYL]-2,5,7-TRIAZATRICYCLO[6.4.0.0²,⁶]DODECA-1(12),3,6,8,10-PENTAENE

IUPAC name

4-(4-methoxyphenyl)-5-[2-(pyrrolidin-1-yl)ethyl]-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)36911-pentaene

SMILES

COc(cc1)ccc1-c(n1CCN2CCCC2)cn2c1nc1c2cccc1

InChI

InChI=1S/C22H24N4O/c1-27-18-10-8-17(9-11-18)21-16-26-20-7-3-2-6-19(20)23-22(26)25(21)15-14-24-12-4-5-13-24/h2-3,6-11,16H,4-5,12-15H2,1H3

InChI Key

ZUPRUYKDNMXKSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02163388

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-4.06

Polar Surface Area

22.630

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

2950-0684 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2950-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2950-0684?
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What is the minimum amount of 2950-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2950-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2950-0684
  • 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 2950-0684 available by request