C090-0077 Screening compound: 5-(4-ethoxyanilino)-3-(2-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one

C090-0077 Screening compound: 5-(4-ethoxyanilino)-3-(2-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one
C090-0077 Screening compound: 5-(4-ethoxyanilino)-3-(2-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0077
5-(4-ethoxyanilino)-3-(2-methylpiperidino)-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

C090-0077

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

5-(4-ethoxyanilino)-3-(2-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

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

SMILES

CCOc(cc1)ccc1Nc(cc(c1noc(-c2c3cccc2)c11)N2C(C)CCCC2)c1C3=O

InChI

InChI=1S/C28H27N3O3/c1-3-33-19-13-11-18(12-14-19)29-22-16-23(31-15-7-6-8-17(31)2)26-25-24(22)27(32)20-9-4-5-10-21(20)28(25)34-30-26/h4-5,9-14,16-17,29H,3,6-8,15H2,1-2H3/t17-/m0/s1

InChI Key

FTYIOXRXGWGBPA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14718586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.078

Distribution Coefficient, logD

7.078

Water Solubility, LogSw

-5.98

Polar Surface Area

52.955

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C090-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0077?
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What is the minimum amount of C090-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0077
  • 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 C090-0077 available by request