T396-0721 Screening compound: N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide

T396-0721 Screening compound: N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide
T396-0721 Screening compound: N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-0721
N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide

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

T396-0721

Molecular Formula

C23H21FN4O3 (C23 H21 FN4 O3)

Compound Name

N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide

IUPAC name

N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)cnc2N(CCN2Cc(cc3)ccc3F)C2=O)=O)c1

InChI

InChI=1S/C23H21FN4O3/c1-31-20-4-2-3-17(13-20)22(29)26-19-9-10-21(25-14-19)28-12-11-27(23(28)30)15-16-5-7-18(24)8-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,26,29)

InChI Key

ZINWSYLTLBMZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-3.98

Polar Surface Area

59.399

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

T396-0721 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 T396-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-0721?
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What is the minimum amount of T396-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-0721
  • 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 T396-0721 available by request