0310-0463 Screening compound: 5-(1-aziranyl)-3-bromo-6H-anthra[1,9-cd]isoxazol-6-one

0310-0463 Screening compound: 5-(1-aziranyl)-3-bromo-6H-anthra[1,9-cd]isoxazol-6-one
0310-0463 Screening compound: 5-(1-aziranyl)-3-bromo-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0463
5-(1-aziranyl)-3-bromo-6H-anthra[1,9-cd]isoxazol-6-one

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

0310-0463

Molecular Formula

C16H9BrN2O2 (C16 H9 BrN2 O2)

Compound Name

5-(1-aziranyl)-3-bromo-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

10-(aziridin-1-yl)-12-bromo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

O=C(c(cccc1)c1-c1c2c(c(Br)c3)no1)c2c3N1CC1

InChI

InChI=1S/C16H9BrN2O2/c17-10-7-11(19-5-6-19)12-13-14(10)18-21-16(13)9-4-2-1-3-8(9)15(12)20/h1-4,7H,5-6H2

InChI Key

CNDVXLXJVIAWQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00748679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.56

Polar Surface Area

38.663

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0310-0463 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 0310-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0463?
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What is the minimum amount of 0310-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0463
  • 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 0310-0463 available by request