C620-0352 Screening compound: 3-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one

C620-0352 Screening compound: 3-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one
C620-0352 Screening compound: 3-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0352
3-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one

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

C620-0352

Molecular Formula

C28H27ClN4O4 (C28 H27 ClN4 O4)

Compound Name

3-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-10-[(2-hydroxyethyl)amino]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

OCCNc(cc(c1noc(-c2c3cccc2)c11)N2CCN(CCOc(cc4)ccc4Cl)CC2)c1C3=O

InChI

InChI=1S/C28H27ClN4O4/c29-18-5-7-19(8-6-18)36-16-14-32-10-12-33(13-11-32)23-17-22(30-9-15-34)24-25-26(23)31-37-28(25)21-4-2-1-3-20(21)27(24)35/h1-8,17,30,34H,9-16H2

InChI Key

MKEQDTJCZVZROT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.63

Polar Surface Area

75.574

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C620-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0352?
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What is the minimum amount of C620-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0352
  • 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 C620-0352 available by request