E958-0176 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

E958-0176 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
E958-0176 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0176
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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

E958-0176

Molecular Formula

C25H32FN7OS (C25 H32 FN7 OS)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nnc(-n2cccc2)s1)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C25H32FN7OS/c26-21-6-1-2-7-22(21)31-18-16-30(17-19-31)11-5-10-27-23(34)20-8-14-33(15-9-20)25-29-28-24(35-25)32-12-3-4-13-32/h1-4,6-7,12-13,20H,5,8-11,14-19H2,(H,27,34)

InChI Key

ZRQJLKUYKNFUFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.39

Polar Surface Area

62.007

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with E958-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0176?
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What is the minimum amount of E958-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0176
  • 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 E958-0176 available by request