C620-0253 Screening compound: ethyl 4-[5-(cyclohexylamino)-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate

C620-0253 Screening compound: ethyl 4-[5-(cyclohexylamino)-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate
C620-0253 Screening compound: ethyl 4-[5-(cyclohexylamino)-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0253
ethyl 4-[5-(cyclohexylamino)-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate

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

C620-0253

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

ethyl 4-[5-(cyclohexylamino)-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[10-(cyclohexylamino)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-12-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(NC2CCCCC2)c1C3=O)=O

InChI

InChI=1S/C27H30N4O4/c1-2-34-27(33)31-14-12-30(13-15-31)21-16-20(28-17-8-4-3-5-9-17)22-23-24(21)29-35-26(23)19-11-7-6-10-18(19)25(22)32/h6-7,10-11,16-17,28H,2-5,8-9,12-15H2,1H3

InChI Key

NFGARXXOBBXRER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

6.079

Water Solubility, LogSw

-5.71

Polar Surface Area

70.375

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C620-0253 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C620-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0253?
Check Price and Availability of C620-0253, 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 C620-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0253
  • 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 C620-0253 available by request