E958-0714 Screening compound: 2,4-dimethoxy-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-0714 Screening compound: 2,4-dimethoxy-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-0714 Screening compound: 2,4-dimethoxy-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0714
2,4-dimethoxy-N-({1-[5-(4-methylpiperidin-1-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

E958-0714

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1nnc(-n2c(CNc(ccc(OC)c3)c3OC)ccc2)s1

InChI

InChI=1S/C21H27N5O2S/c1-15-8-11-25(12-9-15)20-23-24-21(29-20)26-10-4-5-16(26)14-22-18-7-6-17(27-2)13-19(18)28-3/h4-7,10,13,15,22H,8-9,11-12,14H2,1-3H3

InChI Key

MQISSHSUYVQRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.27

Polar Surface Area

54.065

Acid Dissociation Constant (pKa)

18.60

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E958-0714 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

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 E958-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0714?
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What is the minimum amount of E958-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0714
  • 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 E958-0714 available by request