V005-8793 Screening compound: 3-({5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea

V005-8793 Screening compound: 3-({5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea
V005-8793 Screening compound: 3-({5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8793
3-({5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea

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

V005-8793

Molecular Formula

C29H39N5O2 (C29 H39 N5 O2)

Compound Name

3-({5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea

IUPAC name

3-({5-[cyclohexyl(methyl)amino]-3-phenyl-12-oxazol-4-yl}methyl)-3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(N(CCN(C)C)Cc1c(N(C)C2CCCCC2)onc1-c1ccccc1)=O

InChI

InChI=1S/C29H39N5O2/c1-22-15-17-24(18-16-22)30-29(35)34(20-19-32(2)3)21-26-27(23-11-7-5-8-12-23)31-36-28(26)33(4)25-13-9-6-10-14-25/h5,7-8,11-12,15-18,25H,6,9-10,13-14,19-21H2,1-4H3,(H,30,35)

InChI Key

CRUGMZKUOVLDNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19879193

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.401

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-5.28

Polar Surface Area

53.966

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V005-8793 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-8793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8793?
Check Price and Availability of V005-8793, 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 V005-8793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8793
  • 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 V005-8793 available by request