4830-0592 Screening compound: 4-(tert-butyl)-N'~1~-(1-methyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

4830-0592 Screening compound: 4-(tert-butyl)-N'~1~-(1-methyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide
4830-0592 Screening compound: 4-(tert-butyl)-N'~1~-(1-methyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0592
4-(tert-butyl)-N'~1~-(1-methyl-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

4830-0592

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H30N4O/c1-20(2,3)17-7-5-15(6-8-17)19(26)23-22-18-16-11-24-9-10-25(12-16)14-21(18,4)13-24/h5-8,16H,9-14H2,1-4H3,(H,23,26)

InChI Key

HRDOAOLZTBNDBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.23

Polar Surface Area

40.711

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with 4830-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0592?
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What is the minimum amount of 4830-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0592
  • 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 4830-0592 available by request