E958-1366 Screening compound: 3,4-dimethoxy-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-1366 Screening compound: 3,4-dimethoxy-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-1366 Screening compound: 3,4-dimethoxy-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1366
3,4-dimethoxy-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

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

E958-1366

Molecular Formula

C19H23N5O3S (C19 H23 N5 O3 S)

Compound Name

3,4-dimethoxy-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

IUPAC name

34-dimethoxy-N-({1-[5-(morpholin-4-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

SMILES

COc(ccc(NCc1cccn1-c1nnc(N2CCOCC2)s1)c1)c1OC

InChI

InChI=1S/C19H23N5O3S/c1-25-16-6-5-14(12-17(16)26-2)20-13-15-4-3-7-24(15)19-22-21-18(28-19)23-8-10-27-11-9-23/h3-7,12,20H,8-11,13H2,1-2H3

InChI Key

NPNDWMFVASXXFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-2.88

Polar Surface Area

62.758

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E958-1366 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1366?
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What is the minimum amount of E958-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1366
  • 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 E958-1366 available by request