S296-4811F Screening compound: (3aR,6aS)-5-[(2-fluorobenzyl)sulfonyl]-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-4811F Screening compound: (3aR,6aS)-5-[(2-fluorobenzyl)sulfonyl]-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-4811F Screening compound: (3aR,6aS)-5-[(2-fluorobenzyl)sulfonyl]-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4811F
(3aR,6aS)-5-[(2-fluorobenzyl)sulfonyl]-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[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

S296-4811F

Molecular Formula

C20H21FN2O4S2 (C20 H21 FN2 O4 S2)

Compound Name

(3aR,6aS)-5-[(2-fluorobenzyl)sulfonyl]-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

n/a

SMILES

CCC(c1cccs1)N(C([C@H](C1)[C@@H]2CN1S(Cc(cccc1)c1F)(=O)=O)=O)C2=O

InChI

InChI=1S/C20H21FN2O4S2/c1-2-17(18-8-5-9-28-18)23-19(24)14-10-22(11-15(14)20(23)25)29(26,27)12-13-6-3-4-7-16(13)21/h3-9,14-15,17H,2,10-12H2,1H3/t14-,15+,17?

InChI Key

DETZPACLZIVEIE-FKEKPDDDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-2.83

Polar Surface Area

61.273

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with S296-4811F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4811F?
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What is the minimum amount of S296-4811F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4811F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4811F
  • 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 S296-4811F available by request