V005-2919 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

V005-2919 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
V005-2919 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2919
3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

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

V005-2919

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

IUPAC name

3-ethyl-1-(2-methoxyethyl)-1-{[3-phenyl-5-(piperidin-1-yl)-12-oxazol-4-yl]methyl}thiourea

SMILES

CCNC(N(CCOC)Cc1c(N2CCCCC2)onc1-c1ccccc1)=S

InChI

InChI=1S/C21H30N4O2S/c1-3-22-21(28)25(14-15-26-2)16-18-19(17-10-6-4-7-11-17)23-27-20(18)24-12-8-5-9-13-24/h4,6-7,10-11H,3,5,8-9,12-16H2,1-2H3,(H,22,28)

InChI Key

PYVNZXBZGYGYKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19883480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.63

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

V005-2919 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V005-2919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2919?
Check Price and Availability of V005-2919, 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 V005-2919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2919
  • 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 V005-2919 available by request