C620-0071 Screening compound: 2-[(6-oxo-3-piperidino-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate

C620-0071 Screening compound: 2-[(6-oxo-3-piperidino-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate
C620-0071 Screening compound: 2-[(6-oxo-3-piperidino-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0071
2-[(6-oxo-3-piperidino-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate

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

C620-0071

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

2-[(6-oxo-3-piperidino-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate

IUPAC name

2-{[8-oxo-12-(piperidin-1-yl)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-10-yl]amino}ethyl acetate

SMILES

CC(OCCNc(cc(c1noc(-c2c3cccc2)c11)N2CCCCC2)c1C3=O)=O

InChI

InChI=1S/C23H23N3O4/c1-14(27)29-12-9-24-17-13-18(26-10-5-2-6-11-26)21-20-19(17)22(28)15-7-3-4-8-16(15)23(20)30-25-21/h3-4,7-8,13,24H,2,5-6,9-12H2,1H3

InChI Key

UACXMOGJGMSWNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-4.73

Polar Surface Area

69.132

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C620-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0071?
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What is the minimum amount of C620-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0071
  • 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 C620-0071 available by request