V010-3558 Screening compound: N-(2-FLUOROBENZYL)-N'-ISOPROPYL-N-[(3-PHENYL-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]UREA

V010-3558 Screening compound: N-(2-FLUOROBENZYL)-N'-ISOPROPYL-N-[(3-PHENYL-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]UREA
V010-3558 Screening compound: N-(2-FLUOROBENZYL)-N'-ISOPROPYL-N-[(3-PHENYL-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3558
N-(2-FLUOROBENZYL)-N'-ISOPROPYL-N-[(3-PHENYL-4,5-DIHYDRO-5-ISOXAZOLYL)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

V010-3558

Molecular Formula

C21H24FN3O2 (C21 H24 FN3 O2)

Compound Name

N-(2-FLUOROBENZYL)-N'-ISOPROPYL-N-[(3-PHENYL-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]UREA

IUPAC name

1-[(2-fluorophenyl)methyl]-1-[(3-phenyl-45-dihydro-12-oxazol-5-yl)methyl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC(C1)ON=C1c1ccccc1)Cc(cccc1)c1F)=O

InChI

InChI=1S/C21H24FN3O2/c1-15(2)23-21(26)25(13-17-10-6-7-11-19(17)22)14-18-12-20(24-27-18)16-8-4-3-5-9-16/h3-11,15,18H,12-14H2,1-2H3,(H,23,26)/t18-/m1/s1

InChI Key

CZOCXKRKQSKKOU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19799505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

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

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.21

Polar Surface Area

48.402

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V010-3558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3558?
Check Price and Availability of V010-3558, 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 V010-3558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3558
  • 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 V010-3558 available by request