V005-9364 Screening compound: 1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea

V005-9364 Screening compound: 1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea
V005-9364 Screening compound: 1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9364
1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}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

V005-9364

Molecular Formula

C28H29ClN4O3 (C28 H29 ClN4 O3)

Compound Name

1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea

IUPAC name

1-(3-chlorophenyl)-3-[(furan-2-yl)methyl]-3-{[5-(4-methylpiperidin-1-yl)-3-phenyl-12-oxazol-4-yl]methyl}urea

SMILES

CC(CC1)CCN1c1c(CN(Cc2ccco2)C(Nc2cccc(Cl)c2)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C28H29ClN4O3/c1-20-12-14-32(15-13-20)27-25(26(31-36-27)21-7-3-2-4-8-21)19-33(18-24-11-6-16-35-24)28(34)30-23-10-5-9-22(29)17-23/h2-11,16-17,20H,12-15,18-19H2,1H3,(H,30,34)

InChI Key

NHJSRDNIIZMWAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19876895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.441

Distribution Coefficient, logD

6.441

Water Solubility, LogSw

-6.27

Polar Surface Area

59.046

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V005-9364 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-9364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9364?
Check Price and Availability of V005-9364, 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 V005-9364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9364
  • 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 V005-9364 available by request