E912-0342 Screening compound: ethyl 1-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate

E912-0342 Screening compound: ethyl 1-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate
E912-0342 Screening compound: ethyl 1-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0342
ethyl 1-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate

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

E912-0342

Molecular Formula

C23H25N3O7S (C23 H25 N3 O7 S)

Compound Name

ethyl 1-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C23H25N3O7S/c1-3-33-23(29)16-6-5-11-25(14-16)34(30,31)19-12-15(8-9-18(19)32-2)13-26-21(27)17-7-4-10-24-20(17)22(26)28/h4,7-10,12,16H,3,5-6,11,13-14H2,1-2H3/t16-/m0/s1

InChI Key

RCGAIAWXZJMAHG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14927388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.47

Polar Surface Area

99.429

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E912-0342 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0342?
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What is the minimum amount of E912-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0342
  • 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 E912-0342 available by request