V021-6339 Screening compound: 2-[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]-6-[(4-phenethylpiperazino)methyl]-4(3H)-pyrimidinone

V021-6339 Screening compound: 2-[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]-6-[(4-phenethylpiperazino)methyl]-4(3H)-pyrimidinone
V021-6339 Screening compound: 2-[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]-6-[(4-phenethylpiperazino)methyl]-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6339
2-[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]-6-[(4-phenethylpiperazino)methyl]-4(3H)-pyrimidinone

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

V021-6339

Molecular Formula

C26H36N6O2 (C26 H36 N6 O2)

Compound Name

2-[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]-6-[(4-phenethylpiperazino)methyl]-4(3H)-pyrimidinone

IUPAC name

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

SMILES

O=C(C1CC1)N(CCC1)CCN1C(N1)=NC(CN2CCN(CCc3ccccc3)CC2)=CC1=O

InChI

InChI=1S/C26H36N6O2/c33-24-19-23(20-30-15-13-29(14-16-30)12-9-21-5-2-1-3-6-21)27-26(28-24)32-11-4-10-31(17-18-32)25(34)22-7-8-22/h1-3,5-6,19,22H,4,7-18,20H2,(H,27,28,33)

InChI Key

MYMVXGIGWPXTOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859803

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.590

Distribution Coefficient, logD

-0.091

Water Solubility, LogSw

-2.13

Polar Surface Area

62.925

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.69

References: we are preparing a list of scientific research reports with V021-6339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6339?
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What is the minimum amount of V021-6339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6339
  • 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 V021-6339 available by request