V028-0846 Screening compound: 2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

V028-0846 Screening compound: 2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
V028-0846 Screening compound: 2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0846
2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)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

V028-0846

Molecular Formula

C27H31BrN2O3 (C27 H31 BrN2 O3)

Compound Name

2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

IUPAC name

2-[1-(3-bromophenyl)-N-butylformamido]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

SMILES

CCCCN(CC(N(CCc1ccccc1)Cc1ccc(C)o1)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C27H31BrN2O3/c1-3-4-16-30(27(32)23-11-8-12-24(28)18-23)20-26(31)29(19-25-14-13-21(2)33-25)17-15-22-9-6-5-7-10-22/h5-14,18H,3-4,15-17,19-20H2,1-2H3

InChI Key

UPULSUMNKDESLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.37

Polar Surface Area

39.353

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V028-0846 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with V028-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0846?
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What is the minimum amount of V028-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0846
  • 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 V028-0846 available by request