C090-0586 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)acetic acid

C090-0586 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)acetic acid
C090-0586 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0586
2-({3-[4-(ethoxycarbonyl)piperazino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)acetic 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

C090-0586

Molecular Formula

C23H22N4O6 (C23 H22 N4 O6)

Compound Name

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

IUPAC name

2-({12-[4-(ethoxycarbonyl)piperazin-1-yl]-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-10-yl}amino)acetic acid

SMILES

CCOC(N(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(NCC(O)=O)c1C3=O)=O

InChI

InChI=1S/C23H22N4O6/c1-2-32-23(31)27-9-7-26(8-10-27)16-11-15(24-12-17(28)29)18-19-20(16)25-33-22(19)14-6-4-3-5-13(14)21(18)30/h3-6,11,24H,2,7-10,12H2,1H3,(H,28,29)

InChI Key

ZKCKMTLLUUMDLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

-0.918

Water Solubility, LogSw

-3.69

Polar Surface Area

99.305

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C090-0586 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C090-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0586?
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What is the minimum amount of C090-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0586
  • 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 C090-0586 available by request