V022-5446 Screening compound: 3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide

V022-5446 Screening compound: 3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide
V022-5446 Screening compound: 3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5446
3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide

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

V022-5446

Molecular Formula

C29H32FN3O2 (C29 H32 FN3 O2)

Compound Name

3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide

IUPAC name

3-fluoro-N-[(4-methylphenyl)methyl]-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]benzamide

SMILES

Cc1ccc(CN(C(c2cccc(F)c2)=O)c2ccc(CC(NCCN3CCCC3)=O)cc2)cc1

InChI

InChI=1S/C29H32FN3O2/c1-22-7-9-24(10-8-22)21-33(29(35)25-5-4-6-26(30)20-25)27-13-11-23(12-14-27)19-28(34)31-15-18-32-16-2-3-17-32/h4-14,20H,2-3,15-19,21H2,1H3,(H,31,34)

InChI Key

FLEMOOTYGRUFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910593

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-4.22

Polar Surface Area

43.979

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with V022-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5446?
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What is the minimum amount of V022-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5446
  • 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 V022-5446 available by request