C090-0409 Screening compound: 2-({6-oxo-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

C090-0409 Screening compound: 2-({6-oxo-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid
C090-0409 Screening compound: 2-({6-oxo-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0409
2-({6-oxo-3-[4-(2-pyridyl)piperazino]-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

C090-0409

Molecular Formula

C30H23N5O4 (C30 H23 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cccc1)c1Nc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2c2ncccc2)c1C3=O)=O

InChI

InChI=1S/C30H23N5O4/c36-28-18-7-1-2-8-19(18)29-26-25(28)22(32-21-10-4-3-9-20(21)30(37)38)17-23(27(26)33-39-29)34-13-15-35(16-14-34)24-11-5-6-12-31-24/h1-12,17,32H,13-16H2,(H,37,38)

InChI Key

QSJRLMLVKSFHOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.200

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-6.01

Polar Surface Area

86.029

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C090-0409 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleic Acid Ligands (8311 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C090-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0409?
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What is the minimum amount of C090-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0409
  • 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 C090-0409 available by request