V013-0221 Screening compound: [5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol

V013-0221 Screening compound: [5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol
V013-0221 Screening compound: [5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0221
[5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol

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

V013-0221

Molecular Formula

C28H29NO3S (C28 H29 NO3 S)

Compound Name

[5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol

IUPAC name

[5-({[(oxolan-2-yl)methyl][(thiophen-3-yl)methyl]amino}methyl)furan-2-yl]diphenylmethanol

SMILES

OC(c1ccc(CN(CC2OCCC2)Cc2cscc2)o1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H29NO3S/c30-28(23-8-3-1-4-9-23,24-10-5-2-6-11-24)27-14-13-26(32-27)20-29(18-22-15-17-33-21-22)19-25-12-7-16-31-25/h1-6,8-11,13-15,17,21,25,30H,7,12,16,18-20H2/t25-/m1/s1

InChI Key

REKFMEDFCYBOAE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19872668

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.55

Polar Surface Area

35.718

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V013-0221 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0221?
Check Price and Availability of V013-0221, 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 V013-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0221
  • 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 V013-0221 available by request