C090-0554 Screening compound: 3-({6-oxo-3-[4-(2,3,4-trimethoxybenzyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)propanoic acid

C090-0554 Screening compound: 3-({6-oxo-3-[4-(2,3,4-trimethoxybenzyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)propanoic acid
C090-0554 Screening compound: 3-({6-oxo-3-[4-(2,3,4-trimethoxybenzyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0554
3-({6-oxo-3-[4-(2,3,4-trimethoxybenzyl)piperazino]-6H-anthra[1,9-cd]isoxazol-5-yl}amino)propanoic 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

C090-0554

Molecular Formula

C31H32N4O7 (C31 H32 N4 O7)

Compound Name

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

IUPAC name

3-[(8-oxo-12-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-10-yl)amino]propanoic acid

SMILES

COc(ccc(CN(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(NCCC(O)=O)c1C3=O)c1OC)c1OC

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

572.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.36

Polar Surface Area

102.971

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C090-0554 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 C090-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0554?
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What is the minimum amount of C090-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0554
  • 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 C090-0554 available by request