E958-1013 Screening compound: ({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(2-ethoxyphenyl)methyl]amine

E958-1013 Screening compound: ({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(2-ethoxyphenyl)methyl]amine
E958-1013 Screening compound: ({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(2-ethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1013
({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[(2-ethoxyphenyl)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

E958-1013

Molecular Formula

C26H36N6OS (C26 H36 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNCc2cccn2-c2nnc(N(CC3)CCN3C3CCCCC3)s2)cccc1

InChI

InChI=1S/C26H36N6OS/c1-2-33-24-13-7-6-9-21(24)19-27-20-23-12-8-14-32(23)26-29-28-25(34-26)31-17-15-30(16-18-31)22-10-4-3-5-11-22/h6-9,12-14,22,27H,2-5,10-11,15-20H2,1H3

InChI Key

MSZRMHBITGVYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.47

Polar Surface Area

51.424

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

E958-1013 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E958-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1013?
Check Price and Availability of E958-1013, 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 E958-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1013
  • 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 E958-1013 available by request