E958-0412 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

E958-0412 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
E958-0412 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0412
N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

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

E958-0412

Molecular Formula

C21H32N6OS (C21 H32 N6 OS)

Compound Name

N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-{2-[cyclohexyl(methyl)amino]ethyl}-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CN(CCNC(C(CCC1)CN1c1nnc(-n2cccc2)s1)=O)C1CCCCC1

InChI

InChI=1S/C21H32N6OS/c1-25(18-9-3-2-4-10-18)15-11-22-19(28)17-8-7-14-27(16-17)21-24-23-20(29-21)26-12-5-6-13-26/h5-6,12-13,17-18H,2-4,7-11,14-16H2,1H3,(H,22,28)/t17-/m0/s1

InChI Key

VFQSNZCNWHMHNZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14932713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.59

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

3.056

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-3.05

Polar Surface Area

58.037

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

E958-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E958-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0412?
Check Price and Availability of E958-0412, 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 E958-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0412
  • 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 E958-0412 available by request