1831-1435 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

1831-1435 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide
1831-1435 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-1435
N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-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

1831-1435

Molecular Formula

C16H17BrN2O3 (C16 H17 BrN2 O3)

Compound Name

N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

IUPAC name

N'-[(E)-(6-bromo-2H-13-benzodioxol-5-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

SMILES

O=C(C1C2C1CCCC2)N/N=C/c(cc1OCOc1c1)c1Br

InChI

InChI=1S/C16H17BrN2O3/c17-12-6-14-13(21-8-22-14)5-9(12)7-18-19-16(20)15-10-3-1-2-4-11(10)15/h5-7,10-11,15H,1-4,8H2,(H,19,20)

InChI Key

INXKYSNBJDQHCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00783461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.15

Polar Surface Area

53.113

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

1831-1435 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1831-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-1435
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-1435
  • 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 1831-1435 available by request