S868-0388 Screening compound: N-benzyl-N-methyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide

S868-0388 Screening compound: N-benzyl-N-methyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
S868-0388 Screening compound: N-benzyl-N-methyl-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 S868-0388
N-benzyl-N-methyl-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

S868-0388

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-benzyl-2-methanesulfonyl-N-methyl-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-7-carboxamide

SMILES

CN(Cc1ccccc1)C(c1ccc(C2)n1CCCN2S(C)(=O)=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-19(13-15-7-4-3-5-8-15)18(22)17-10-9-16-14-20(25(2,23)24)11-6-12-21(16)17/h3-5,7-10H,6,11-14H2,1-2H3

InChI Key

RIIRGTPRGAIAAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.31

Polar Surface Area

48.683

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with S868-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S868-0388?
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What is the minimum amount of S868-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S868-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S868-0388
  • 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 S868-0388 available by request