E017-1665 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

E017-1665 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide
E017-1665 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-1665
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

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

E017-1665

Molecular Formula

C17H19N5O4S (C17 H19 N5 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]amino}acetamide

SMILES

CN(CC(NCc(cc1)cc2c1OCO2)=O)c1nnc(N(CCC2)C2=O)s1

InChI

InChI=1S/C17H19N5O4S/c1-21(16-19-20-17(27-16)22-6-2-3-15(22)24)9-14(23)18-8-11-4-5-12-13(7-11)26-10-25-12/h4-5,7H,2-3,6,8-10H2,1H3,(H,18,23)

InChI Key

SPRMVNVAIAPLPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.55

Polar Surface Area

84.730

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E017-1665 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E017-1665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-1665?
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What is the minimum amount of E017-1665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-1665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-1665
  • 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 E017-1665 available by request