1153-0152 Screening compound: N'~5~-[(E)-1-(3-bromophenyl)methylidene]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide

1153-0152 Screening compound: N'~5~-[(E)-1-(3-bromophenyl)methylidene]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide
1153-0152 Screening compound: N'~5~-[(E)-1-(3-bromophenyl)methylidene]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0152
N'~5~-[(E)-1-(3-bromophenyl)methylidene]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide

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

1153-0152

Molecular Formula

C19H23BrN2O6 (C19 H23 BrN2 O6)

Compound Name

N'~5~-[(E)-1-(3-bromophenyl)methylidene]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide

IUPAC name

N'-[(E)-(3-bromophenyl)methylidene]-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-carbohydrazide

SMILES

CC1(C)OC2C(C(N/N=C/c3cccc(Br)c3)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C19H23BrN2O6/c1-18(2)25-12-13(26-18)15-17(28-19(3,4)27-15)24-14(12)16(23)22-21-9-10-6-5-7-11(20)8-10/h5-9,12-15,17H,1-4H3,(H,22,23)

InChI Key

VWRYINVXIDQZFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.69

Polar Surface Area

75.399

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.90

1153-0152 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1153-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1153-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0152
  • 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 1153-0152 available by request