V021-6296 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3,4-dihydropyrimidin-4-one

V021-6296 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3,4-dihydropyrimidin-4-one
V021-6296 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6296
6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3,4-dihydropyrimidin-4-one

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

V021-6296

Molecular Formula

C29H36N6O3 (C29 H36 N6 O3)

Compound Name

6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3,4-dihydropyrimidin-4-one

IUPAC name

6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-methoxybenzoyl)-14-diazepan-1-yl]-34-dihydropyrimidin-4-one

SMILES

COc(cc1)ccc1C(N(CCC1)CCN1C(N1)=NC(CN2CCN(Cc3ccccc3)CC2)=CC1=O)=O

InChI

InChI=1S/C29H36N6O3/c1-38-26-10-8-24(9-11-26)28(37)34-12-5-13-35(19-18-34)29-30-25(20-27(36)31-29)22-33-16-14-32(15-17-33)21-23-6-3-2-4-7-23/h2-4,6-11,20H,5,12-19,21-22H2,1H3,(H,30,31,36)

InChI Key

YBWRATOTLWIIMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859571

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

0.088

Water Solubility, LogSw

-2.41

Polar Surface Area

69.967

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V021-6296 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V021-6296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6296?
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What is the minimum amount of V021-6296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6296
  • 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 V021-6296 available by request