V005-2931 Screening compound: 3-ethyl-1-(3-methoxypropyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

V005-2931 Screening compound: 3-ethyl-1-(3-methoxypropyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
V005-2931 Screening compound: 3-ethyl-1-(3-methoxypropyl)-1-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2931
3-ethyl-1-(3-methoxypropyl)-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

V005-2931

Molecular Formula

C22H32N4O2S (C22 H32 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-3-23-22(29)26(15-10-16-27-2)17-19-20(18-11-6-4-7-12-18)24-28-21(19)25-13-8-5-9-14-25/h4,6-7,11-12H,3,5,8-10,13-17H2,1-2H3,(H,23,29)

InChI Key

LQNKEYXBTRDYDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19883483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.91

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V005-2931 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 V005-2931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2931?
Check Price and Availability of V005-2931, 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 V005-2931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2931
  • 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 V005-2931 available by request