C090-0182 Screening compound: ethyl 3-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

C090-0182 Screening compound: ethyl 3-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate
C090-0182 Screening compound: ethyl 3-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0182
ethyl 3-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

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

C090-0182

Molecular Formula

C34H27F3N4O4 (C34 H27 F3 N4 O4)

Compound Name

ethyl 3-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

IUPAC name

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

SMILES

CCOC(c1cccc(Nc(cc(c2noc(-c3c4cccc3)c22)N(CC3)CCN3c3cccc(C(F)(F)F)c3)c2C4=O)c1)=O

InChI

InChI=1S/C34H27F3N4O4/c1-2-44-33(43)20-7-5-9-22(17-20)38-26-19-27(30-29-28(26)31(42)24-11-3-4-12-25(24)32(29)45-39-30)41-15-13-40(14-16-41)23-10-6-8-21(18-23)34(35,36)37/h3-12,17-19,38H,2,13-16H2,1H3

InChI Key

UUMHULFRQYTEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.922

Distribution Coefficient, logD

8.922

Water Solubility, LogSw

-6.14

Polar Surface Area

70.561

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.60

C090-0182 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C090-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0182?
Check Price and Availability of C090-0182, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C090-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0182
  • 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 C090-0182 available by request