8006-4231 Screening compound: N'-[(Z)-(5-bromothiophen-2-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

8006-4231 Screening compound: N'-[(Z)-(5-bromothiophen-2-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide
8006-4231 Screening compound: N'-[(Z)-(5-bromothiophen-2-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4231
N'-[(Z)-(5-bromothiophen-2-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

8006-4231

Molecular Formula

C13H15BrN2OS (C13 H15 BrN2 OS)

Compound Name

N'-[(Z)-(5-bromothiophen-2-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

IUPAC name

N'-[(Z)-(5-bromothiophen-2-yl)methylidene]bicyclo[4.1.0]heptane-7-carbohydrazide

SMILES

O=C(C1C2C1CCCC2)N/N=C\c(s1)ccc1Br

InChI

InChI=1S/C13H15BrN2OS/c14-11-6-5-8(18-11)7-15-16-13(17)12-9-3-1-2-4-10(9)12/h5-7,9-10,12H,1-4H2,(H,16,17)

InChI Key

NQPYXXXQMQQTEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.28

Polar Surface Area

37.016

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

8006-4231 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 8006-4231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4231?
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What is the minimum amount of 8006-4231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4231
  • 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 8006-4231 available by request