4328-0097 Screening compound: N'-[(Z)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene](tert-butoxy)carbohydrazide

4328-0097 Screening compound: N'-[(Z)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene](tert-butoxy)carbohydrazide
4328-0097 Screening compound: N'-[(Z)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene](tert-butoxy)carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4328-0097
N'-[(Z)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene](tert-butoxy)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

4328-0097

Molecular Formula

C13H15ClN2O4 (C13 H15 ClN2 O4)

Compound Name

N'-[(Z)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene](tert-butoxy)carbohydrazide

IUPAC name

N'-[(Z)-(6-chloro-2H-13-benzodioxol-5-yl)methylidene](tert-butoxy)carbohydrazide

SMILES

CC(C)(C)OC(N/N=C\c(cc1OCOc1c1)c1Cl)=O

InChI

InChI=1S/C13H15ClN2O4/c1-13(2,3)20-12(17)16-15-6-8-4-10-11(5-9(8)14)19-7-18-10/h4-6H,7H2,1-3H3,(H,16,17)

InChI Key

OBLGAHFBVFEPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.50

Polar Surface Area

60.132

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4328-0097 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4328-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4328-0097?
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What is the minimum amount of 4328-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4328-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4328-0097
  • 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 4328-0097 available by request