1935-0131 Screening compound: 4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

1935-0131 Screening compound: 4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
1935-0131 Screening compound: 4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1935-0131
4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

1935-0131

Molecular Formula

C15H11BrN2O4 (C15 H11 BrN2 O4)

Compound Name

4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

[O-][N+](c(cc(cc1)Br)c1N(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C15H11BrN2O4/c16-9-3-4-10(11(6-9)18(21)22)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13H,5H2

InChI Key

TWECQWJBPJTYNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00300357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.72

Polar Surface Area

62.504

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-11.02

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1935-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1935-0131?
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What is the minimum amount of 1935-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1935-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1935-0131
  • 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 1935-0131 available by request