G397-0646 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

G397-0646 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
G397-0646 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0646
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-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

G397-0646

Molecular Formula

C25H36N6O2S (C25 H36 N6 O2 S)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CC(C)N(CCCNC(C(CCC1)CN1c1nnc(N(CCC2)C2=O)s1)=O)Cc1ccccc1

InChI

InChI=1S/C25H36N6O2S/c1-19(2)29(17-20-9-4-3-5-10-20)15-8-13-26-23(33)21-11-6-14-30(18-21)24-27-28-25(34-24)31-16-7-12-22(31)32/h3-5,9-10,19,21H,6-8,11-18H2,1-2H3,(H,26,33)/t21-/m0/s1

InChI Key

FEKJXVLBHYBCMN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15008899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-3.26

Polar Surface Area

71.427

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with G397-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0646?
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What is the minimum amount of G397-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0646
  • 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 G397-0646 available by request