C620-0113 Screening compound: 2-{[3-(1-azepanyl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}ethyl propionate

C620-0113 Screening compound: 2-{[3-(1-azepanyl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}ethyl propionate
C620-0113 Screening compound: 2-{[3-(1-azepanyl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}ethyl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0113
2-{[3-(1-azepanyl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}ethyl propionate

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

C620-0113

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

2-{[3-(1-azepanyl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}ethyl propionate

IUPAC name

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

SMILES

CCC(OCCNc(cc(c1noc(-c2c3cccc2)c11)N2CCCCCC2)c1C3=O)=O

InChI

InChI=1S/C25H27N3O4/c1-2-20(29)31-14-11-26-18-15-19(28-12-7-3-4-8-13-28)23-22-21(18)24(30)16-9-5-6-10-17(16)25(22)32-27-23/h5-6,9-10,15,26H,2-4,7-8,11-14H2,1H3

InChI Key

CYSABZGIMKNBQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.778

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-5.71

Polar Surface Area

68.766

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C620-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0113?
Check Price and Availability of C620-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C620-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0113
  • 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 C620-0113 available by request