C301-8953 Screening compound: 1-(2-methoxyphenyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine

C301-8953 Screening compound: 1-(2-methoxyphenyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine
C301-8953 Screening compound: 1-(2-methoxyphenyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8953
1-(2-methoxyphenyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine

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

C301-8953

Molecular Formula

C19H19N7O (C19 H19 N7 O)

Compound Name

1-(2-methoxyphenyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine

IUPAC name

1-(2-methoxyphenyl)-4-{[1234]tetrazolo[51-a]phthalazin-6-yl}piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1c1nn2nnnc2c2c1cccc2

InChI

InChI=1S/C19H19N7O/c1-27-17-9-5-4-8-16(17)24-10-12-25(13-11-24)19-15-7-3-2-6-14(15)18-20-22-23-26(18)21-19/h2-9H,10-13H2,1H3

InChI Key

MKKFZKMTAPPRKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.17

Polar Surface Area

60.914

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C301-8953 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8953?
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What is the minimum amount of C301-8953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8953
  • 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 C301-8953 available by request