4830-0610 Screening compound: N'~1~-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-4-(tert-butyl)benzohydrazide

4830-0610 Screening compound: N'~1~-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-4-(tert-butyl)benzohydrazide
4830-0610 Screening compound: N'~1~-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-4-(tert-butyl)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0610
N'~1~-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-4-(tert-butyl)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

4830-0610

Molecular Formula

C27H34N4O (C27 H34 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C(\C(C1)C2)/C3(Cc4ccccc4)CN2CCN1C3)=O

InChI

InChI=1S/C27H34N4O/c1-26(2,3)23-11-9-21(10-12-23)25(32)29-28-24-22-16-30-13-14-31(17-22)19-27(24,18-30)15-20-7-5-4-6-8-20/h4-12,22H,13-19H2,1-3H3,(H,29,32)

InChI Key

OXKGBMIXKFDFQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.45

Polar Surface Area

40.439

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with 4830-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0610?
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What is the minimum amount of 4830-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0610
  • 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 4830-0610 available by request