8018-0697 Screening compound: 3-(4-bromophenoxy)-5-(vinylamino)-6H-anthra[1,9-cd]isoxazol-6-one

8018-0697 Screening compound: 3-(4-bromophenoxy)-5-(vinylamino)-6H-anthra[1,9-cd]isoxazol-6-one
8018-0697 Screening compound: 3-(4-bromophenoxy)-5-(vinylamino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0697
3-(4-bromophenoxy)-5-(vinylamino)-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

8018-0697

Molecular Formula

C22H13BrN2O3 (C22 H13 BrN2 O3)

Compound Name

3-(4-bromophenoxy)-5-(vinylamino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-(4-bromophenoxy)-10-(ethenylamino)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

C=CNc(cc(c1noc(-c2c3cccc2)c11)Oc(cc2)ccc2Br)c1C3=O

InChI

InChI=1S/C22H13BrN2O3/c1-2-24-16-11-17(27-13-9-7-12(23)8-10-13)20-19-18(16)21(26)14-5-3-4-6-15(14)22(19)28-25-20/h2-11,24H,1H2

InChI Key

HLBHUOOHAOQSDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.172

Distribution Coefficient, logD

6.172

Water Solubility, LogSw

-6.22

Polar Surface Area

53.727

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8018-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0697?
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What is the minimum amount of 8018-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0697
  • 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 8018-0697 available by request