E958-1503 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amine

E958-1503 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amine
E958-1503 Screening compound: ({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1503
({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]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

E958-1503

Molecular Formula

C19H30N6S (C19 H30 N6 S)

Compound Name

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

IUPAC name

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

SMILES

C(CN1CCCC1)NCc1cccn1-c1nnc(N2CCCCCC2)s1

InChI

InChI=1S/C19H30N6S/c1-2-4-13-24(12-3-1)18-21-22-19(26-18)25-14-7-8-17(25)16-20-9-15-23-10-5-6-11-23/h7-8,14,20H,1-6,9-13,15-16H2

InChI Key

TXUGDLJFGCENHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

0.850

Water Solubility, LogSw

-3.12

Polar Surface Area

45.641

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

E958-1503 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 E958-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1503?
Check Price and Availability of E958-1503, 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 E958-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1503
  • 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 E958-1503 available by request