4830-0595 Screening compound: 2-chloro-N'~1~-(1-propyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

4830-0595 Screening compound: 2-chloro-N'~1~-(1-propyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide
4830-0595 Screening compound: 2-chloro-N'~1~-(1-propyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0595
2-chloro-N'~1~-(1-propyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

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

4830-0595

Molecular Formula

C19H25ClN4O (C19 H25 ClN4 O)

Compound Name

2-chloro-N'~1~-(1-propyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

IUPAC name

2-chloro-N'-[(9E)-1-propyl-36-diazatricyclo[4.3.1.1^{38}]undecan-9-ylidene]benzohydrazide

SMILES

CCCC1(CN(CC2C3)CCN3C1)/C2=N/NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C19H25ClN4O/c1-2-7-19-12-23-8-9-24(13-19)11-14(10-23)17(19)21-22-18(25)15-5-3-4-6-16(15)20/h3-6,14H,2,7-13H2,1H3,(H,22,25)

InChI Key

HEUJQLMOYUNCMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.66

Polar Surface Area

40.711

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

4830-0595 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4830-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0595?
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What is the minimum amount of 4830-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0595
  • 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 4830-0595 available by request