V007-4544 Screening compound: 2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

V007-4544 Screening compound: 2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
V007-4544 Screening compound: 2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4544
2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]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

V007-4544

Molecular Formula

C31H37N5O3 (C31 H37 N5 O3)

Compound Name

2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

Cc(cc1)ccc1-c(cc1)nnc1N(CCC1)CCN1C(CN(CC1OCCC1)C(c1c(C)cccc1)=O)=O

InChI

InChI=1S/C31H37N5O3/c1-23-10-12-25(13-11-23)28-14-15-29(33-32-28)34-16-6-17-35(19-18-34)30(37)22-36(21-26-8-5-20-39-26)31(38)27-9-4-3-7-24(27)2/h3-4,7,9-15,26H,5-6,8,16-22H2,1-2H3/t26-/m1/s1

InChI Key

ZECCMFQVFDZWQA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19828942

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.81

Polar Surface Area

65.751

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V007-4544 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 V007-4544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4544?
Check Price and Availability of V007-4544, 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 V007-4544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4544
  • 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 V007-4544 available by request