E958-1493 Screening compound: N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclohexanamine

E958-1493 Screening compound: N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclohexanamine
E958-1493 Screening compound: N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1493
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)cyclohexanamine

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

E958-1493

Molecular Formula

C19H29N5S (C19 H29 N5 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1cccn1-c1nnc(N2CCCCCC2)s1)NC1CCCCC1

InChI

InChI=1S/C19H29N5S/c1-2-7-13-23(12-6-1)18-21-22-19(25-18)24-14-8-11-17(24)15-20-16-9-4-3-5-10-16/h8,11,14,16,20H,1-7,9-10,12-13,15H2

InChI Key

IPTZDNYWODUGDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.54

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

4.528

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.18

Polar Surface Area

40.967

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

E958-1493 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E958-1493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1493?
Check Price and Availability of E958-1493, 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 E958-1493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1493
  • 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 E958-1493 available by request