S984-0007 Screening compound: N,N-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

S984-0007 Screening compound: N,N-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
S984-0007 Screening compound: N,N-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0007
N,N-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-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

S984-0007

Molecular Formula

C17H25N3O2S (C17 H25 N3 O2 S)

Compound Name

N,N-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

IUPAC name

(3aS6aS)-NN-dimethyl-2-(propan-2-yl)-5-(thiophene-2-carbonyl)-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

CC(C)N(C[C@H]1CN(C2)C(c3cccs3)=O)C[C@]12C(N(C)C)=O

InChI

InChI=1S/C17H25N3O2S/c1-12(2)19-8-13-9-20(15(21)14-6-5-7-23-14)11-17(13,10-19)16(22)18(3)4/h5-7,12-13H,8-11H2,1-4H3/t13-,17+/m1/s1

InChI Key

ZPPKUMCQYFVIDH-DYVFJYSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.085

Distribution Coefficient, logD

-4.818

Water Solubility, LogSw

-2.09

Polar Surface Area

38.156

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

13.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S984-0007 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S984-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0007?
Check Price and Availability of S984-0007, 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 S984-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0007
  • 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 S984-0007 available by request