N115-0042 Screening compound: N~3~-(3-methoxyphenyl)-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide

N115-0042 Screening compound: N~3~-(3-methoxyphenyl)-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide
N115-0042 Screening compound: N~3~-(3-methoxyphenyl)-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0042
N~3~-(3-methoxyphenyl)-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide

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

N115-0042

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

N~3~-(3-methoxyphenyl)-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide

IUPAC name

N-(3-methoxyphenyl)-6-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]pyridine-3-carboxamide

SMILES

COc1cccc(NC(c(cc2)cnc2N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)c1

InChI

InChI=1S/C24H28N4O3/c1-31-20-5-2-4-19(11-20)26-24(30)17-8-9-22(25-12-17)27-13-16-10-18(15-27)21-6-3-7-23(29)28(21)14-16/h2,4-5,8-9,11-12,16,18,21H,3,6-7,10,13-15H2,1H3,(H,26,30)/t16-,18+,21+/m0/s1

InChI Key

YEVZWSIRUZRNRB-YRISNDGFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.53

Polar Surface Area

59.160

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.83

References: we are preparing a list of scientific research reports with N115-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0042?
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What is the minimum amount of N115-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0042
  • 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 N115-0042 available by request