C090-0183 Screening compound: 5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-6-one

C090-0183 Screening compound: 5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-6-one
C090-0183 Screening compound: 5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0183
5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-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

C090-0183

Molecular Formula

C31H22F4N4O2 (C31 H22 F4 N4 O2)

Compound Name

5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

10-[(3-fluorophenyl)amino]-12-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

O=C(c(cccc1)c1-c1c2c(c(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)c3)no1)c2c3Nc1cccc(F)c1

InChI

InChI=1S/C31H22F4N4O2/c32-19-6-4-7-20(16-19)36-24-17-25(28-27-26(24)29(40)22-9-1-2-10-23(22)30(27)41-37-28)39-13-11-38(12-14-39)21-8-3-5-18(15-21)31(33,34)35/h1-10,15-17,36H,11-14H2

InChI Key

XRFDJICGWFTWIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.293

Distribution Coefficient, logD

8.293

Water Solubility, LogSw

-6.54

Polar Surface Area

49.807

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with C090-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0183?
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What is the minimum amount of C090-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0183
  • 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 C090-0183 available by request