E786-2134 Screening compound: 6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E786-2134 Screening compound: 6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E786-2134 Screening compound: 6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2134
6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-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

E786-2134

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

CC(CCCC1)N1S(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C20H20FN3O4S/c1-13-5-2-3-10-24(13)29(27,28)17-11-15(21)8-7-14(17)12-23-19(25)16-6-4-9-22-18(16)20(23)26/h4,6-9,11,13H,2-3,5,10,12H2,1H3/t13-/m0/s1

InChI Key

IIVKJMPRRVGZNT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14919128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.77

Polar Surface Area

71.173

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

E786-2134 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E786-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2134?
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What is the minimum amount of E786-2134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2134
  • 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 E786-2134 available by request