V021-6331 Screening compound: 2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-3,4-dihydropyrimidin-4-one

V021-6331 Screening compound: 2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-3,4-dihydropyrimidin-4-one
V021-6331 Screening compound: 2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6331
2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-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

V021-6331

Molecular Formula

C28H32Cl2N6O2 (C28 H32 Cl2 N6 O2)

Compound Name

2-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-3,4-dihydropyrimidin-4-one

IUPAC name

2-[4-(2-chlorobenzoyl)-14-diazepan-1-yl]-6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-34-dihydropyrimidin-4-one

SMILES

O=C(c(cccc1)c1Cl)N(CCC1)CCN1C(N1)=NC(CN2CCN(Cc(cc3)ccc3Cl)CC2)=CC1=O

InChI

InChI=1S/C28H32Cl2N6O2/c29-22-8-6-21(7-9-22)19-33-12-14-34(15-13-33)20-23-18-26(37)32-28(31-23)36-11-3-10-35(16-17-36)27(38)24-4-1-2-5-25(24)30/h1-2,4-9,18H,3,10-17,19-20H2,(H,31,32,37)

InChI Key

JHUASBPWCLVCTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859824

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

1.115

Water Solubility, LogSw

-3.79

Polar Surface Area

62.423

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.29

V021-6331 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V021-6331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6331?
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What is the minimum amount of V021-6331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6331
  • 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 V021-6331 available by request