E958-1205 Screening compound: N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine

E958-1205 Screening compound: N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine
E958-1205 Screening compound: N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1205
N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine

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

E958-1205

Molecular Formula

C19H30N6S (C19 H30 N6 S)

Compound Name

N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine

IUPAC name

N-({1-[5-(4-propylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine

SMILES

CCCN(CC1)CCN1c1nnc(-n2c(CNC3CCCC3)ccc2)s1

InChI

InChI=1S/C19H30N6S/c1-2-9-23-11-13-24(14-12-23)18-21-22-19(26-18)25-10-5-8-17(25)15-20-16-6-3-4-7-16/h5,8,10,16,20H,2-4,6-7,9,11-15H2,1H3

InChI Key

XJJVNHCKMROEEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932993

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

3.139

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.99

Polar Surface Area

44.793

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

E958-1205 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1205?
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What is the minimum amount of E958-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1205
  • 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 E958-1205 available by request