S868-0408 Screening compound: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide

S868-0408 Screening compound: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
S868-0408 Screening compound: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-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 S868-0408
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-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

S868-0408

Molecular Formula

C18H27N5O3S (C18 H27 N5 O3 S)

Compound Name

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

IUPAC name

N-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-methanesulfonyl-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-7-carboxamide

SMILES

CCN(Cc1c(C)n(C)nc1)C(c1ccc(C2)n1CCCN2S(C)(=O)=O)=O

InChI

InChI=1S/C18H27N5O3S/c1-5-21(12-15-11-19-20(3)14(15)2)18(24)17-8-7-16-13-22(27(4,25)26)9-6-10-23(16)17/h7-8,11H,5-6,9-10,12-13H2,1-4H3

InChI Key

DTBGJWXXDQKVLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.697

Distribution Coefficient, logD

0.697

Water Solubility, LogSw

-2.00

Polar Surface Area

62.955

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with S868-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S868-0408?
Check Price and Availability of S868-0408, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S868-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S868-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S868-0408
  • 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 S868-0408 available by request