S296-1607 Screening compound: (3aR,6aS)-5-isopentyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-1607 Screening compound: (3aR,6aS)-5-isopentyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-1607 Screening compound: (3aR,6aS)-5-isopentyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1607
(3aR,6aS)-5-isopentyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

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

S296-1607

Molecular Formula

C12H20N2O2 (C12 H20 N2 O2)

Compound Name

(3aR,6aS)-5-isopentyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

(3aR6aS)-2-methyl-5-(3-methylbutyl)-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CC(C)CCN(C[C@H]1C(N2C)=O)C[C@@H]1C2=O

InChI

InChI=1S/C12H20N2O2/c1-8(2)4-5-14-6-9-10(7-14)12(16)13(3)11(9)15/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1

InChI Key

KFVQPXKMSVPIJG-UWVGGRQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.489

Distribution Coefficient, logD

-1.706

Water Solubility, LogSw

-0.99

Polar Surface Area

33.744

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

83.33

S296-1607 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S296-1607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1607?
Check Price and Availability of S296-1607, 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 S296-1607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1607
  • 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 S296-1607 available by request