V007-4905 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}urea

V007-4905 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}urea
V007-4905 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4905
1-[(2,4-difluorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-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

V007-4905

Molecular Formula

C26H24F3N3O2 (C26 H24 F3 N3 O2)

Compound Name

1-[(2,4-difluorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}urea

IUPAC name

1-[(24-difluorophenyl)methyl]-3-(26-dimethylphenyl)-1-{[3-(2-fluorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}urea

SMILES

Cc1cccc(C)c1NC(N(CC(C1)ON=C1c(cccc1)c1F)Cc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C26H24F3N3O2/c1-16-6-5-7-17(2)25(16)30-26(33)32(14-18-10-11-19(27)12-23(18)29)15-20-13-24(31-34-20)21-8-3-4-9-22(21)28/h3-12,20H,13-15H2,1-2H3,(H,30,33)/t20-/m1/s1

InChI Key

COFJSYSRNRTZLO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19774583

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.703

Distribution Coefficient, logD

5.703

Water Solubility, LogSw

-5.47

Polar Surface Area

46.439

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V007-4905 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 V007-4905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4905?
Check Price and Availability of V007-4905, 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 V007-4905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4905
  • 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 V007-4905 available by request