C090-0463 Screening compound: 2-({3-[4-(5-chloro-2-methoxybenzyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

C090-0463 Screening compound: 2-({3-[4-(5-chloro-2-methoxybenzyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid
C090-0463 Screening compound: 2-({3-[4-(5-chloro-2-methoxybenzyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0463
2-({3-[4-(5-chloro-2-methoxybenzyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

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

C090-0463

Molecular Formula

C33H27ClN4O5 (C33 H27 ClN4 O5)

Compound Name

2-({3-[4-(5-chloro-2-methoxybenzyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

IUPAC name

2-[(12-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-10-yl)amino]benzoic acid

SMILES

COc(cc1)c(CN(CC2)CCN2c(c2noc(-c3c4cccc3)c22)cc(Nc(cccc3)c3C(O)=O)c2C4=O)cc1Cl

InChI

InChI=1S/C33H27ClN4O5/c1-42-27-11-10-20(34)16-19(27)18-37-12-14-38(15-13-37)26-17-25(35-24-9-5-4-8-23(24)33(40)41)28-29-30(26)36-43-32(29)22-7-3-2-6-21(22)31(28)39/h2-11,16-17,35H,12-15,18H2,1H3,(H,40,41)

InChI Key

FZRNKHIAXIBAQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.885

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-6.17

Polar Surface Area

85.428

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C090-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0463?
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What is the minimum amount of C090-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0463
  • 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 C090-0463 available by request