C358-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2,3-dimethoxy-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C358-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2,3-dimethoxy-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C358-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2,3-dimethoxy-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C358-0013
N-(3-fluoro-4-methylphenyl)-2,3-dimethoxy-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

C358-0013

Molecular Formula

C27H25FN2O4 (C27 H25 FN2 O4)

Compound Name

N-(3-fluoro-4-methylphenyl)-2,3-dimethoxy-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-23-dimethoxy-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

Cc(ccc(NC(C(C1N2CCc3c1cccc3)c(cc(c(OC)c1)OC)c1C2=O)=O)c1)c1F

InChI

InChI=1S/C27H25FN2O4/c1-15-8-9-17(12-21(15)28)29-26(31)24-19-13-22(33-2)23(34-3)14-20(19)27(32)30-11-10-16-6-4-5-7-18(16)25(24)30/h4-9,12-14,24-25H,10-11H2,1-3H3,(H,29,31)

InChI Key

XSCQPDUMAFLJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.28

Polar Surface Area

54.298

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C358-0013 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C358-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C358-0013?
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What is the minimum amount of C358-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C358-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C358-0013
  • 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 C358-0013 available by request