E854-1264 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide

E854-1264 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide
E854-1264 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-1264
2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide

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

E854-1264

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide

IUPAC name

2-{34-dimethyl-7-oxo-2-phenyl-2H6H7H-pyrazolo[34-d]pyridazin-6-yl}-N-[3-(propan-2-yloxy)propyl]propanamide

SMILES

CC(C)OCCCNC(C(C)N1N=C(C)c2c(C)n(-c3ccccc3)nc2C1=O)=O

InChI

InChI=1S/C22H29N5O3/c1-14(2)30-13-9-12-23-21(28)17(5)27-22(29)20-19(15(3)24-27)16(4)26(25-20)18-10-7-6-8-11-18/h6-8,10-11,14,17H,9,12-13H2,1-5H3,(H,23,28)/t17-/m0/s1

InChI Key

DOBOBJVBWPHUKM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14922819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.56

Polar Surface Area

71.874

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

E854-1264 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E854-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-1264?
Check Price and Availability of E854-1264, 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 E854-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-1264
  • 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 E854-1264 available by request