G397-0564 Screening compound: 1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

G397-0564 Screening compound: 1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
G397-0564 Screening compound: 1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0564
1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

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

G397-0564

Molecular Formula

C24H30N6O4S (C24 H30 N6 O4 S)

Compound Name

1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-[5-(3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-134-thiadiazol-2-yl]pyrrolidin-2-one

SMILES

O=C(C(CCC1)CN1c1nnc(N(CCC2)C2=O)s1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C24H30N6O4S/c31-21-4-2-8-30(21)24-26-25-23(35-24)29-7-1-3-18(15-29)22(32)28-11-9-27(10-12-28)14-17-5-6-19-20(13-17)34-16-33-19/h5-6,13,18H,1-4,7-12,14-16H2/t18-/m0/s1

InChI Key

GHEHQNIXYDWXPC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15008871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-2.68

Polar Surface Area

80.879

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

G397-0564 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G397-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0564?
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What is the minimum amount of G397-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0564
  • 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 G397-0564 available by request