S868-0386 Screening compound: N-butyl-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide

S868-0386 Screening compound: N-butyl-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
S868-0386 Screening compound: N-butyl-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S868-0386
N-butyl-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-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

S868-0386

Molecular Formula

C16H27N3O3S (C16 H27 N3 O3 S)

Compound Name

N-butyl-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide

IUPAC name

N-butyl-N-ethyl-2-methanesulfonyl-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-7-carboxamide

SMILES

CCCCN(CC)C(c1ccc(C2)n1CCCN2S(C)(=O)=O)=O

InChI

InChI=1S/C16H27N3O3S/c1-4-6-10-17(5-2)16(20)15-9-8-14-13-18(23(3,21)22)11-7-12-19(14)15/h8-9H,4-7,10-13H2,1-3H3

InChI Key

YRAHKQBARDOEPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-2.54

Polar Surface Area

48.718

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

References: we are preparing a list of scientific research reports with S868-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S868-0386?
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What is the minimum amount of S868-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S868-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S868-0386
  • 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 S868-0386 available by request