4830-0609 Screening compound: 4-(tert-butyl)-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

4830-0609 Screening compound: 4-(tert-butyl)-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide
4830-0609 Screening compound: 4-(tert-butyl)-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0609
4-(tert-butyl)-N'~1~-(1-phenyl-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

4830-0609

Molecular Formula

C26H32N4O (C26 H32 N4 O)

Compound Name

4-(tert-butyl)-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

IUPAC name

4-tert-butyl-N'-[(9E)-1-phenyl-36-diazatricyclo[4.3.1.1^{38}]undecan-9-ylidene]benzohydrazide

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C(\C(C1)CN(C2)CCN1C1)/C12c1ccccc1)=O

InChI

InChI=1S/C26H32N4O/c1-25(2,3)21-11-9-19(10-12-21)24(31)28-27-23-20-15-29-13-14-30(16-20)18-26(23,17-29)22-7-5-4-6-8-22/h4-12,20H,13-18H2,1-3H3,(H,28,31)

InChI Key

NPIYFUKWIIWJIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

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

4.471

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.03

Polar Surface Area

40.439

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4830-0609 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4830-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0609?
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What is the minimum amount of 4830-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0609
  • 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 4830-0609 available by request