4830-0392 Screening compound: 2-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-N~1~-phenyl-1-hydrazinecarboxamide

4830-0392 Screening compound: 2-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-N~1~-phenyl-1-hydrazinecarboxamide
4830-0392 Screening compound: 2-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-N~1~-phenyl-1-hydrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0392
2-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-N~1~-phenyl-1-hydrazinecarboxamide

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

4830-0392

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

2-(1-benzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)-N~1~-phenyl-1-hydrazinecarboxamide

IUPAC name

3-{[(9E)-1-benzyl-36-diazatricyclo[4.3.1.1^{38}]undecan-9-ylidene]amino}-1-phenylurea

SMILES

O=C(Nc1ccccc1)N/N=C(\C(C1)C2)/C3(Cc4ccccc4)CN2CCN1C3

InChI

InChI=1S/C23H27N5O/c29-22(24-20-9-5-2-6-10-20)26-25-21-19-14-27-11-12-28(15-19)17-23(21,16-27)13-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H2,24,26,29)

InChI Key

YYYIESIVBHGUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.20

Polar Surface Area

49.651

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 4830-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0392?
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What is the minimum amount of 4830-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0392
  • 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 4830-0392 available by request