E626-0581 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

E626-0581 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
E626-0581 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E626-0581
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][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

E626-0581

Molecular Formula

C25H25N5O4S (C25 H25 N5 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[6-(4-methoxyphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

COc(cc1)ccc1-c1cn2nc(N(CC3)CCC3C(NCc(cc3)cc4c3OCO4)=O)sc2n1

InChI

InChI=1S/C25H25N5O4S/c1-32-19-5-3-17(4-6-19)20-14-30-24(27-20)35-25(28-30)29-10-8-18(9-11-29)23(31)26-13-16-2-7-21-22(12-16)34-15-33-21/h2-7,12,14,18H,8-11,13,15H2,1H3,(H,26,31)

InChI Key

HMWWCNAOHQZEJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-3.86

Polar Surface Area

73.599

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E626-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E626-0581?
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What is the minimum amount of E626-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E626-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E626-0581
  • 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 E626-0581 available by request