E958-1423 Screening compound: [(2-ethoxyphenyl)methyl]({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

E958-1423 Screening compound: [(2-ethoxyphenyl)methyl]({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine
E958-1423 Screening compound: [(2-ethoxyphenyl)methyl]({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1423
[(2-ethoxyphenyl)methyl]({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}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

E958-1423

Molecular Formula

C20H25N5O2S (C20 H25 N5 O2 S)

Compound Name

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

IUPAC name

[(2-ethoxyphenyl)methyl]({1-[5-(morpholin-4-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

SMILES

CCOc1c(CNCc2cccn2-c2nnc(N3CCOCC3)s2)cccc1

InChI

InChI=1S/C20H25N5O2S/c1-2-27-18-8-4-3-6-16(18)14-21-15-17-7-5-9-25(17)20-23-22-19(28-20)24-10-12-26-13-11-24/h3-9,21H,2,10-15H2,1H3

InChI Key

ZYZCHDCOADZULR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.14

Polar Surface Area

56.239

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E958-1423 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E958-1423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1423?
Check Price and Availability of E958-1423, 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 E958-1423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1423
  • 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 E958-1423 available by request