K089-0027 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

K089-0027 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
K089-0027 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0027
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

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

K089-0027

Molecular Formula

C21H18BrClN8O4 (C21 H18 BrClN8 O4)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-123-triazole-4-carbohydrazide

SMILES

Cc1c(C(N/N=C/c(cc2OC)cc(Br)c2OCc(cccc2)c2Cl)=O)nnn1-c1nonc1N

InChI

InChI=1S/C21H18BrClN8O4/c1-11-17(26-30-31(11)20-19(24)28-35-29-20)21(32)27-25-9-12-7-14(22)18(16(8-12)33-2)34-10-13-5-3-4-6-15(13)23/h3-9H,10H2,1-2H3,(H2,24,28)(H,27,32)

InChI Key

QICOMRLDLWDOBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.33

Polar Surface Area

133.676

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K089-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K089-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0027
  • 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 K089-0027 available by request