V010-4547 Screening compound: N-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-5-isoxazolyl}methyl)-N'-isopropyl-N-(3-methoxybenzyl)urea

V010-4547 Screening compound: N-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-5-isoxazolyl}methyl)-N'-isopropyl-N-(3-methoxybenzyl)urea
V010-4547 Screening compound: N-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-5-isoxazolyl}methyl)-N'-isopropyl-N-(3-methoxybenzyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4547
N-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-5-isoxazolyl}methyl)-N'-isopropyl-N-(3-methoxybenzyl)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

V010-4547

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

N-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-5-isoxazolyl}methyl)-N'-isopropyl-N-(3-methoxybenzyl)urea

IUPAC name

n/a

SMILES

CC(C)NC(N(CC(C1)ON=C1c(cc1)ccc1N(C)C)Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C24H32N4O3/c1-17(2)25-24(29)28(15-18-7-6-8-21(13-18)30-5)16-22-14-23(26-31-22)19-9-11-20(12-10-19)27(3)4/h6-13,17,22H,14-16H2,1-5H3,(H,25,29)/t22-/m1/s1

InChI Key

NYFRVGOPJNXYQA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19797516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.37

Polar Surface Area

58.751

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V010-4547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4547?
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What is the minimum amount of V010-4547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4547
  • 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 V010-4547 available by request