C090-0286 Screening compound: 3-[4-(2-furylcarbonyl)piperazino]-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

C090-0286 Screening compound: 3-[4-(2-furylcarbonyl)piperazino]-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one
C090-0286 Screening compound: 3-[4-(2-furylcarbonyl)piperazino]-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0286
3-[4-(2-furylcarbonyl)piperazino]-5-(4-methoxyanilino)-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

C090-0286

Molecular Formula

C30H24N4O5 (C30 H24 N4 O5)

Compound Name

3-[4-(2-furylcarbonyl)piperazino]-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-[4-(furan-2-carbonyl)piperazin-1-yl]-10-[(4-methoxyphenyl)amino]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

COc(cc1)ccc1Nc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2C(c2ccco2)=O)c1C3=O

InChI

InChI=1S/C30H24N4O5/c1-37-19-10-8-18(9-11-19)31-22-17-23(33-12-14-34(15-13-33)30(36)24-7-4-16-38-24)27-26-25(22)28(35)20-5-2-3-6-21(20)29(26)39-32-27/h2-11,16-17,31H,12-15H2,1H3

InChI Key

HHXAMYUAJHGLCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.894

Water Solubility, LogSw

-5.89

Polar Surface Area

79.125

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C090-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0286?
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What is the minimum amount of C090-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0286
  • 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 C090-0286 available by request