D662-0113 Screening compound: N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1,2,3,4-tetrazol-5-amine

D662-0113 Screening compound: N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1,2,3,4-tetrazol-5-amine
D662-0113 Screening compound: N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D662-0113
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1,2,3,4-tetrazol-5-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

D662-0113

Molecular Formula

C12H15Cl2N5O (C12 H15 Cl2 N5 O)

Compound Name

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1,2,3,4-tetrazol-5-amine

IUPAC name

N-[(35-dichloro-2-methoxyphenyl)methyl]-2-propyl-2H-1234-tetrazol-5-amine

SMILES

CCCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1

InChI

InChI=1S/C12H15Cl2N5O/c1-3-4-19-17-12(16-18-19)15-7-8-5-9(13)6-10(14)11(8)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,17)

InChI Key

SPRLKEUBEQKKLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.72

Polar Surface Area

57.949

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D662-0113 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D662-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D662-0113?
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What is the minimum amount of D662-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D662-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D662-0113
  • 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 D662-0113 available by request