C620-0692 Screening compound: ethyl 1-(5-{[3-(dimethylamino)propyl]amino}-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl)-4-piperidinecarboxylate

C620-0692 Screening compound: ethyl 1-(5-{[3-(dimethylamino)propyl]amino}-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl)-4-piperidinecarboxylate
C620-0692 Screening compound: ethyl 1-(5-{[3-(dimethylamino)propyl]amino}-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0692
ethyl 1-(5-{[3-(dimethylamino)propyl]amino}-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl)-4-piperidinecarboxylate

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

C620-0692

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

ethyl 1-(5-{[3-(dimethylamino)propyl]amino}-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl)-4-piperidinecarboxylate

IUPAC name

ethyl 1-(10-{[3-(dimethylamino)propyl]amino}-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-12-yl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(NCCCN(C)C)c1C3=O)=O

InChI

InChI=1S/C27H32N4O4/c1-4-34-27(33)17-10-14-31(15-11-17)21-16-20(28-12-7-13-30(2)3)22-23-24(21)29-35-26(23)19-9-6-5-8-18(19)25(22)32/h5-6,8-9,16-17,28H,4,7,10-15H2,1-3H3

InChI Key

BKQPEJKWSKGKLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-4.50

Polar Surface Area

72.602

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C620-0692 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C620-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0692?
Check Price and Availability of C620-0692, 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 C620-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0692
  • 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 C620-0692 available by request