E958-1468 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine

E958-1468 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine
E958-1468 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1468
({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine

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

E958-1468

Molecular Formula

C21H27N5S (C21 H27 N5 S)

Compound Name

({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine

IUPAC name

({1-[5-(azepan-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(3-methylphenyl)methyl]amine

SMILES

Cc1cccc(CNCc2cccn2-c2nnc(N3CCCCCC3)s2)c1

InChI

InChI=1S/C21H27N5S/c1-17-8-6-9-18(14-17)15-22-16-19-10-7-13-26(19)21-24-23-20(27-21)25-11-4-2-3-5-12-25/h6-10,13-14,22H,2-5,11-12,15-16H2,1H3

InChI Key

XTXATNWTZWVJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.60

Polar Surface Area

41.451

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E958-1468 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E958-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1468?
Check Price and Availability of E958-1468, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E958-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1468
  • 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 E958-1468 available by request