V022-6530 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V022-6530 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V022-6530 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6530
2,4-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

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

V022-6530

Molecular Formula

C29H31Cl2N5O3 (C29 H31 Cl2 N5 O3)

Compound Name

2,4-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

IUPAC name

24-dichloro-N-(cyclopropylmethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

COc1cccc(-c(cc2)nnc2N(CCC2)CCN2C(CN(CC2CC2)C(c(ccc(Cl)c2)c2Cl)=O)=O)c1

InChI

InChI=1S/C29H31Cl2N5O3/c1-39-23-5-2-4-21(16-23)26-10-11-27(33-32-26)34-12-3-13-35(15-14-34)28(37)19-36(18-20-6-7-20)29(38)24-9-8-22(30)17-25(24)31/h2,4-5,8-11,16-17,20H,3,6-7,12-15,18-19H2,1H3

InChI Key

UHOFXFRWJRMNQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828741

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-5.05

Polar Surface Area

65.164

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V022-6530 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-6530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6530?
Check Price and Availability of V022-6530, 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 V022-6530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6530
  • 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 V022-6530 available by request