V013-9048 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

V013-9048 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
V013-9048 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9048
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

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

V013-9048

Molecular Formula

C22H30N4O6 (C22 H30 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl}-13-oxazole-4-carboxamide

SMILES

CCOCC(CN1CCN(Cc2nc(C(NCc(cc3)cc4c3OCO4)=O)co2)CC1)O

InChI

InChI=1S/C22H30N4O6/c1-2-29-13-17(27)11-25-5-7-26(8-6-25)12-21-24-18(14-30-21)22(28)23-10-16-3-4-19-20(9-16)32-15-31-19/h3-4,9,14,17,27H,2,5-8,10-13,15H2,1H3,(H,23,28)/t17-/m0/s1

InChI Key

YSVBKVGNFFDCRQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19909272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.668

Distribution Coefficient, logD

0.451

Water Solubility, LogSw

-2.13

Polar Surface Area

92.396

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

V013-9048 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V013-9048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9048?
Check Price and Availability of V013-9048, 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 V013-9048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9048
  • 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 V013-9048 available by request