V002-3187 Screening compound: N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]acetamide

V002-3187 Screening compound: N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]acetamide
V002-3187 Screening compound: N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3187
N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-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

V002-3187

Molecular Formula

C32H32ClN3O6 (C32 H32 ClN3 O6)

Compound Name

N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]acetamide

IUPAC name

N-benzyl-2-[1-(2-chloro-4-nitrophenyl)-N-(3-methylbutyl)formamido]-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]acetamide

SMILES

CC(C)CCN(CC(N(Cc1ccccc1)CC1=COc(ccc(C)c2)c2C1=O)=O)C(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C32H32ClN3O6/c1-21(2)13-14-34(32(39)26-11-10-25(36(40)41)16-28(26)33)19-30(37)35(17-23-7-5-4-6-8-23)18-24-20-42-29-12-9-22(3)15-27(29)31(24)38/h4-12,15-16,20-21H,13-14,17-19H2,1-3H3

InChI Key

HDOFBBXZDHLGSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.08

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-6.00

Polar Surface Area

86.386

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V002-3187 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-3187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3187?
Check Price and Availability of V002-3187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-3187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3187
  • 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 V002-3187 available by request