C301-5665 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

C301-5665 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine
C301-5665 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5665
N-[(4-ethoxy-3-methoxyphenyl)methyl]-[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

C301-5665

Molecular Formula

C18H18N6O2 (C18 H18 N6 O2)

Compound Name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-[1234]tetrazolo[51-a]phthalazin-6-amine

SMILES

CCOc(ccc(CNc1nn2nnnc2c2c1cccc2)c1)c1OC

InChI

InChI=1S/C18H18N6O2/c1-3-26-15-9-8-12(10-16(15)25-2)11-19-17-13-6-4-5-7-14(13)18-20-22-23-24(18)21-17/h4-10H,3,11H2,1-2H3,(H,19,21)

InChI Key

CTHIKLLUIPSMDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.64

Polar Surface Area

72.654

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-5665 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-5665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5665?
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What is the minimum amount of C301-5665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5665
  • 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 C301-5665 available by request