1809-0195 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetohydrazide

1809-0195 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetohydrazide
1809-0195 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0195
N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetohydrazide

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

1809-0195

Molecular Formula

C17H12BrClN6O3 (C17 H12 BrClN6 O3)

Compound Name

N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetohydrazide

IUPAC name

N'-[(E)-(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-2-[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]acetohydrazide

SMILES

O=C(Cn1nnc(-c(cccc2)c2Cl)n1)N/N=C/c(cc1OCOc1c1)c1Br

InChI

InChI=1S/C17H12BrClN6O3/c18-12-6-15-14(27-9-28-15)5-10(12)7-20-21-16(26)8-25-23-17(22-24-25)11-3-1-2-4-13(11)19/h1-7H,8-9H2,(H,21,26)

InChI Key

VDPOEAWHANDWGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.74

Polar Surface Area

90.831

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1809-0195 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 1809-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0195?
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What is the minimum amount of 1809-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0195
  • 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 1809-0195 available by request