V001-1314 Screening compound: 2-{butyl[(2,3-dimethylphenyl)carbamoyl]amino}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V001-1314 Screening compound: 2-{butyl[(2,3-dimethylphenyl)carbamoyl]amino}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V001-1314 Screening compound: 2-{butyl[(2,3-dimethylphenyl)carbamoyl]amino}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1314
2-{butyl[(2,3-dimethylphenyl)carbamoyl]amino}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-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

V001-1314

Molecular Formula

C31H41N3O4S (C31 H41 N3 O4 S)

Compound Name

2-{butyl[(2,3-dimethylphenyl)carbamoyl]amino}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-{butyl[(23-dimethylphenyl)carbamoyl]amino}-N-[2-(34-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCCN(CC(N(CCc(cc1)cc(OC)c1OC)Cc1ccc(C)s1)=O)C(Nc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C31H41N3O4S/c1-7-8-17-34(31(36)32-27-11-9-10-22(2)24(27)4)21-30(35)33(20-26-14-12-23(3)39-26)18-16-25-13-15-28(37-5)29(19-25)38-6/h9-15,19H,7-8,16-18,20-21H2,1-6H3,(H,32,36)

InChI Key

PDAYCSQDXXRFDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19755672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.457

Distribution Coefficient, logD

6.457

Water Solubility, LogSw

-5.62

Polar Surface Area

56.492

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V001-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1314?
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What is the minimum amount of V001-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1314
  • 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 V001-1314 available by request