C301-8946 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

C301-8946 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine
C301-8946 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8946
N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

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

C301-8946

Molecular Formula

C20H25N7O (C20 H25 N7 O)

Compound Name

N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

IUPAC name

N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-[1234]tetrazolo[51-a]phthalazin-6-amine

SMILES

CCCCN(CCCNc1nn2nnnc2c2c1cccc2)Cc1ccco1

InChI

InChI=1S/C20H25N7O/c1-2-3-12-26(15-16-8-6-14-28-16)13-7-11-21-19-17-9-4-5-10-18(17)20-22-24-25-27(20)23-19/h4-6,8-10,14H,2-3,7,11-13,15H2,1H3,(H,21,23)

InChI Key

GVDACAVPQBAEBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.43

Polar Surface Area

69.344

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-8946 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8946?
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What is the minimum amount of C301-8946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8946
  • 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 C301-8946 available by request