E958-1287 Screening compound: N-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine

E958-1287 Screening compound: N-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine
E958-1287 Screening compound: N-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclopentanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1287
N-({1-[5-(piperidin-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

E958-1287

Molecular Formula

C17H25N5S (C17 H25 N5 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1cccn1-c1nnc(N2CCCCC2)s1)NC1CCCC1

InChI

InChI=1S/C17H25N5S/c1-4-10-21(11-5-1)16-19-20-17(23-16)22-12-6-9-15(22)13-18-14-7-2-3-8-14/h6,9,12,14,18H,1-5,7-8,10-11,13H2

InChI Key

KRPQMMNSNKXYCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.64

Polar Surface Area

41.002

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

E958-1287 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E958-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1287?
Check Price and Availability of E958-1287, 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 E958-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1287
  • 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 E958-1287 available by request