E958-0393 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

E958-0393 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
E958-0393 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0393
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-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

E958-0393

Molecular Formula

C26H35N7O2S (C26 H35 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CCCNC(C(CCC2)CN2c2nnc(-n3cccc3)s2)=O)CC1

InChI

InChI=1S/C26H35N7O2S/c1-35-23-9-7-22(8-10-23)31-18-16-30(17-19-31)12-5-11-27-24(34)21-6-4-15-33(20-21)26-29-28-25(36-26)32-13-2-3-14-32/h2-3,7-10,13-14,21H,4-6,11-12,15-20H2,1H3,(H,27,34)/t21-/m0/s1

InChI Key

OKOLURQEOWZVSI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14932700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.35

Polar Surface Area

69.786

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with E958-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0393?
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What is the minimum amount of E958-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0393
  • 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 E958-0393 available by request