N118-0036 Screening compound: N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-3-thiophenecarboxamide

N118-0036 Screening compound: N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-3-thiophenecarboxamide
N118-0036 Screening compound: N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0036
N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-3-thiophenecarboxamide

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

N118-0036

Molecular Formula

C22H30N4O3S (C22 H30 N4 O3 S)

Compound Name

N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-3-thiophenecarboxamide

IUPAC name

n/a

SMILES

O=C(c1cscc1)NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C22H30N4O3S/c27-20-3-1-2-19-17-10-15(12-26(19)20)11-25(13-17)22(29)24-7-4-18(5-8-24)23-21(28)16-6-9-30-14-16/h6,9,14-15,17-19H,1-5,7-8,10-13H2,(H,23,28)/t15-,17+,19+/m0/s1

InChI Key

AWVWWRDLBFHRBA-KVSKMBFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

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

1.692

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-2.31

Polar Surface Area

59.891

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.20

N118-0036 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N118-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N118-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0036
  • 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 N118-0036 available by request