C289-0080 Screening compound: 10,11-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0080 Screening compound: 10,11-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0080 Screening compound: 10,11-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0080
10,11-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

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

C289-0080

Molecular Formula

C29H29N3O7 (C29 H29 N3 O7)

Compound Name

10,11-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

1011-diethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(Nc(cc(cc3)[N+]([O-])=O)c3OC)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C29H29N3O7/c1-4-38-24-14-17-12-13-31-27(21(17)16-25(24)39-5-2)26(19-8-6-7-9-20(19)29(31)34)28(33)30-22-15-18(32(35)36)10-11-23(22)37-3/h6-11,14-16,26-27H,4-5,12-13H2,1-3H3,(H,30,33)

InChI Key

HDBRBZUHYLTLCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.78

Polar Surface Area

93.772

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C289-0080 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C289-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0080?
Check Price and Availability of C289-0080, 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 C289-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0080
  • 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 C289-0080 available by request