1630-1692 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

1630-1692 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
1630-1692 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1692
ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

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

1630-1692

Molecular Formula

C16H16BrNO5 (C16 H16 BrNO5)

Compound Name

ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

ethyl 4-(6-bromo-2H-13-benzodioxol-5-yl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOC(C(C(C1)c(cc2OCOc2c2)c2Br)=C(C)NC1=O)=O

InChI

InChI=1S/C16H16BrNO5/c1-3-21-16(20)15-8(2)18-14(19)5-10(15)9-4-12-13(6-11(9)17)23-7-22-12/h4,6,10H,3,5,7H2,1-2H3,(H,18,19)/t10-/m0/s1

InChI Key

JJFXFBJLWNSDMU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01151956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-2.75

Polar Surface Area

62.308

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1630-1692 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 1630-1692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1692?
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What is the minimum amount of 1630-1692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1692
  • 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 1630-1692 available by request