C358-0080 Screening compound: 2,3-dimethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C358-0080 Screening compound: 2,3-dimethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C358-0080 Screening compound: 2,3-dimethoxy-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 C358-0080
2,3-dimethoxy-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

C358-0080

Molecular Formula

C27H25N3O7 (C27 H25 N3 O7)

Compound Name

2,3-dimethoxy-N-(2-methoxy-5-nitrophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

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

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(C(C1N2CCc3c1cccc3)c(cc(c(OC)c1)OC)c1C2=O)=O

InChI

InChI=1S/C27H25N3O7/c1-35-21-9-8-16(30(33)34)12-20(21)28-26(31)24-18-13-22(36-2)23(37-3)14-19(18)27(32)29-11-10-15-6-4-5-7-17(15)25(24)29/h4-9,12-14,24-25H,10-11H2,1-3H3,(H,28,31)

InChI Key

XRKMXOLPCYFBDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.92

Polar Surface Area

94.612

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C358-0080 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 C358-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C358-0080?
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What is the minimum amount of C358-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C358-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C358-0080
  • 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 C358-0080 available by request