T396-0450 Screening compound: N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide

T396-0450 Screening compound: N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide
T396-0450 Screening compound: N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-0450
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide

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

T396-0450

Molecular Formula

C22H18ClFN4O2 (C22 H18 ClFN4 O2)

Compound Name

N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide

IUPAC name

N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2-chloro-4-fluorobenzamide

SMILES

O=C(c(ccc(F)c1)c1Cl)Nc(cc1)cnc1N(CCN1Cc2ccccc2)C1=O

InChI

InChI=1S/C22H18ClFN4O2/c23-19-12-16(24)6-8-18(19)21(29)26-17-7-9-20(25-13-17)28-11-10-27(22(28)30)14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,26,29)

InChI Key

JUWULVGISQKEIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.437

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.71

Polar Surface Area

51.855

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with T396-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-0450?
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What is the minimum amount of T396-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-0450
  • 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 T396-0450 available by request