2039-0512 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N'-[(E)-[3,5-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]acetohydrazide

2039-0512 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N'-[(E)-[3,5-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]acetohydrazide
2039-0512 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N'-[(E)-[3,5-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0512
2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N'-[(E)-[3,5-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]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

2039-0512

Molecular Formula

C19H15Br2ClN6O2 (C19 H15 Br2 ClN6 O2)

Compound Name

2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N'-[(E)-[3,5-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]acetohydrazide

IUPAC name

2-[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]-N'-[(E)-[35-dibromo-2-(prop-2-en-1-yloxy)phenyl]methylidene]acetohydrazide

SMILES

C=CCOc(c(/C=N/NC(Cn1nnc(-c(cccc2)c2Cl)n1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C19H15Br2ClN6O2/c1-2-7-30-18-12(8-13(20)9-15(18)21)10-23-24-17(29)11-28-26-19(25-27-28)14-5-3-4-6-16(14)22/h2-6,8-10H,1,7,11H2,(H,24,29)

InChI Key

ZUBFBXXXZOGWTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01065949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-5.43

Polar Surface Area

81.307

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 2039-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0512?
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What is the minimum amount of 2039-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0512
  • 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 2039-0512 available by request