N121-0812 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-NN-DIETHYLBUTANAMIDE

N121-0812 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-NN-DIETHYLBUTANAMIDE
N121-0812 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-NN-DIETHYLBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0812
4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-NN-DIETHYLBUTANAMIDE

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

N121-0812

Molecular Formula

C21H37N3O2 (C21 H37 N3 O2)

Compound Name

4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-NN-DIETHYLBUTANAMIDE

IUPAC name

4-[(5R6R9S13S)-7-acetyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-NN-diethylbutanamide

SMILES

CCN(CC)C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(C)=O)=O

InChI

InChI=1S/C21H37N3O2/c1-4-22(5-2)20(26)12-6-11-19-18-10-8-14-23-13-7-9-17(21(18)23)15-24(19)16(3)25/h17-19,21H,4-15H2,1-3H3/t17-,18-,19-,21-/m1/s1

InChI Key

XCEHYZHIWZTEPI-ANTGDGSKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

-1.444

Water Solubility, LogSw

-1.36

Polar Surface Area

35.337

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.48

References: we are preparing a list of scientific research reports with N121-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0812?
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What is the minimum amount of N121-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0812
  • 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 N121-0812 available by request