V013-1462 Screening compound: 1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

V013-1462 Screening compound: 1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine
V013-1462 Screening compound: 1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1462
1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

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

V013-1462

Molecular Formula

C26H30N6O4 (C26 H30 N6 O4)

Compound Name

1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

IUPAC name

1-[2-({4-[(2-nitrophenyl)methyl]piperazin-1-yl}methyl)-13-oxazole-4-carbonyl]-4-phenylpiperazine

SMILES

[O-][N+](c1c(CN2CCN(Cc3nc(C(N(CC4)CCN4c4ccccc4)=O)co3)CC2)cccc1)=O

InChI

InChI=1S/C26H30N6O4/c33-26(31-16-14-30(15-17-31)22-7-2-1-3-8-22)23-20-36-25(27-23)19-29-12-10-28(11-13-29)18-21-6-4-5-9-24(21)32(34)35/h1-9,20H,10-19H2

InChI Key

PYUGHTPVFWMSAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19909961

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.85

Polar Surface Area

78.907

Acid Dissociation Constant (pKa)

28.20

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

V013-1462 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1462?
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What is the minimum amount of V013-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1462
  • 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 V013-1462 available by request