V014-8842 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2,6-dichlorophenyl)-3-pentylurea

V014-8842 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2,6-dichlorophenyl)-3-pentylurea
V014-8842 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2,6-dichlorophenyl)-3-pentylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8842
3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2,6-dichlorophenyl)-3-pentylurea

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

V014-8842

Molecular Formula

C24H27Cl2N3O (C24 H27 Cl2 N3 O)

Compound Name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2,6-dichlorophenyl)-3-pentylurea

IUPAC name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(26-dichlorophenyl)-3-pentylurea

SMILES

CCCCCN(Cc1cccn1Cc1ccccc1)C(Nc(c(Cl)ccc1)c1Cl)=O

InChI

InChI=1S/C24H27Cl2N3O/c1-2-3-7-15-29(24(30)27-23-21(25)13-8-14-22(23)26)18-20-12-9-16-28(20)17-19-10-5-4-6-11-19/h4-6,8-14,16H,2-3,7,15,17-18H2,1H3,(H,27,30)

InChI Key

GRKUUXNHKOJKJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.268

Distribution Coefficient, logD

7.268

Water Solubility, LogSw

-6.32

Polar Surface Area

25.923

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V014-8842 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 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
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V014-8842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8842?
Check Price and Availability of V014-8842, 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 V014-8842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8842
  • 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 V014-8842 available by request