S994-0875 Screening compound: 2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[1,2-d][1,4]diazepine-8-carboxamide

S994-0875 Screening compound: 2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[1,2-d][1,4]diazepine-8-carboxamide
S994-0875 Screening compound: 2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[1,2-d][1,4]diazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S994-0875
2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[1,2-d][1,4]diazepine-8-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

S994-0875

Molecular Formula

C19H27FN4O2 (C19 H27 FN4 O2)

Compound Name

2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[1,2-d][1,4]diazepine-8-carboxamide

IUPAC name

2-[(4-fluorophenyl)methyl]-1-oxo-N-propyl-decahydropyrazino[12-d][14]diazepine-8-carboxamide

SMILES

CCCNC(N(CC1)CCN(CCN2Cc(cc3)ccc3F)C1C2=O)=O

InChI

InChI=1S/C19H27FN4O2/c1-2-8-21-19(26)23-9-7-17-18(25)24(13-11-22(17)10-12-23)14-15-3-5-16(20)6-4-15/h3-6,17H,2,7-14H2,1H3,(H,21,26)/t17-/m0/s1

InChI Key

DHNHNURUKFTBPO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32233219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-2.26

Polar Surface Area

47.058

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S994-0875 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S994-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S994-0875?
Check Price and Availability of S994-0875, 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 S994-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S994-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S994-0875
  • 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 S994-0875 available by request