E912-0315 Screening compound: 6-({4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E912-0315 Screening compound: 6-({4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E912-0315 Screening compound: 6-({4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-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 E912-0315
6-({4-methoxy-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-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

E912-0315

Molecular Formula

C26H23N3O5S (C26 H23 N3 O5 S)

Compound Name

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

IUPAC name

6-({4-methoxy-3-[(4-phenyl-1236-tetrahydropyridin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

COc(ccc(CN(C(c1c2nccc1)=O)C2=O)c1)c1S(N(CC1)CC=C1c1ccccc1)(=O)=O

InChI

InChI=1S/C26H23N3O5S/c1-34-22-10-9-18(17-29-25(30)21-8-5-13-27-24(21)26(29)31)16-23(22)35(32,33)28-14-11-20(12-15-28)19-6-3-2-4-7-19/h2-11,13,16H,12,14-15,17H2,1H3

InChI Key

JRWWCUMTKCDPDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.39

Polar Surface Area

78.470

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E912-0315 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E912-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0315?
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What is the minimum amount of E912-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0315
  • 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 E912-0315 available by request