V008-6044 Screening compound: N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide

V008-6044 Screening compound: N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide
V008-6044 Screening compound: N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6044
N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide

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

V008-6044

Molecular Formula

C22H27ClFN3O2 (C22 H27 ClFN3 O2)

Compound Name

N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide

IUPAC name

N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-4-fluoro-N-propylbenzamide

SMILES

CCCN(Cc(cc(cc1)NC(C(C)Cl)=O)c1N(C)C)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H27ClFN3O2/c1-5-12-27(22(29)16-6-8-18(24)9-7-16)14-17-13-19(25-21(28)15(2)23)10-11-20(17)26(3)4/h6-11,13,15H,5,12,14H2,1-4H3,(H,25,28)/t15-/m0/s1

InChI Key

UXLRZPPJDHXSIL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19973314

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

419.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.05

Polar Surface Area

42.294

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

V008-6044 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-6044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6044?
Check Price and Availability of V008-6044, 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 V008-6044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6044
  • 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 V008-6044 available by request