C090-0242 Screening compound: ethyl 3-({3-[4-(4-fluorophenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate

C090-0242 Screening compound: ethyl 3-({3-[4-(4-fluorophenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate
C090-0242 Screening compound: ethyl 3-({3-[4-(4-fluorophenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0242
ethyl 3-({3-[4-(4-fluorophenyl)piperazino]-6-oxo-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

C090-0242

Molecular Formula

C33H27FN4O4 (C33 H27 FN4 O4)

Compound Name

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

IUPAC name

ethyl 3-({12-[4-(4-fluorophenyl)piperazin-1-yl]-8-oxo-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)CCN3c(cc3)ccc3F)c2C4=O)c1)=O

InChI

InChI=1S/C33H27FN4O4/c1-2-41-33(40)20-6-5-7-22(18-20)35-26-19-27(38-16-14-37(15-17-38)23-12-10-21(34)11-13-23)30-29-28(26)31(39)24-8-3-4-9-25(24)32(29)42-36-30/h3-13,18-19,35H,2,14-17H2,1H3

InChI Key

HRZUHURXQAHCKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.271

Distribution Coefficient, logD

8.271

Water Solubility, LogSw

-6.08

Polar Surface Area

70.561

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C090-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0242?
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What is the minimum amount of C090-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0242
  • 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 C090-0242 available by request