V001-0416 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

V001-0416 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide
V001-0416 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0416
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V001-0416

Molecular Formula

C28H34FN3O4S (C28 H34 FN3 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCN(CC(N(CCc(cc1)cc(OC)c1OC)Cc1c(C)ccs1)=O)C(Nc1cc(F)ccc1)=O

InChI

InChI=1S/C28H34FN3O4S/c1-5-13-32(28(34)30-23-8-6-7-22(29)17-23)19-27(33)31(18-26-20(2)12-15-37-26)14-11-21-9-10-24(35-3)25(16-21)36-4/h6-10,12,15-17H,5,11,13-14,18-19H2,1-4H3,(H,30,34)

InChI Key

VLUZGWOHJIBANO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19750816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.68

Polar Surface Area

57.190

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V001-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0416?
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What is the minimum amount of V001-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0416
  • 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 V001-0416 available by request