C090-0314 Screening compound: ethyl 3-({3-[4-(4-methoxyphenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate

C090-0314 Screening compound: ethyl 3-({3-[4-(4-methoxyphenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate
C090-0314 Screening compound: ethyl 3-({3-[4-(4-methoxyphenyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0314
ethyl 3-({3-[4-(4-methoxyphenyl)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

C090-0314

Molecular Formula

C34H30N4O5 (C34 H30 N4 O5)

Compound Name

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

IUPAC name

ethyl 3-({12-[4-(4-methoxyphenyl)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)ccc3OC)c2C4=O)c1)=O

InChI

InChI=1S/C34H30N4O5/c1-3-42-34(40)21-7-6-8-22(19-21)35-27-20-28(38-17-15-37(16-18-38)23-11-13-24(41-2)14-12-23)31-30-29(27)32(39)25-9-4-5-10-26(25)33(30)43-36-31/h4-14,19-20,35H,3,15-18H2,1-2H3

InChI Key

NAKNYIGHSUEFCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.225

Distribution Coefficient, logD

8.225

Water Solubility, LogSw

-6.10

Polar Surface Area

78.105

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.60

C090-0314 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 C090-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0314?
Check Price and Availability of C090-0314, 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 C090-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0314
  • 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 C090-0314 available by request