V024-9657 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-1-phenylurea

V024-9657 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-1-phenylurea
V024-9657 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9657
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-1-phenylurea

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

V024-9657

Molecular Formula

C27H25N3O6 (C27 H25 N3 O6)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-1-phenylurea

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-3-{[5-(25-dimethoxyphenyl)-12-oxazol-3-yl]methyl}-1-phenylurea

SMILES

COc(cc1)cc(-c2cc(CN(Cc(cc3)cc4c3OCO4)C(Nc3ccccc3)=O)no2)c1OC

InChI

InChI=1S/C27H25N3O6/c1-32-21-9-11-23(33-2)22(14-21)25-13-20(29-36-25)16-30(27(31)28-19-6-4-3-5-7-19)15-18-8-10-24-26(12-18)35-17-34-24/h3-14H,15-17H2,1-2H3,(H,28,31)

InChI Key

DCHXWAUJIINSQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19812759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.46

Polar Surface Area

79.319

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V024-9657 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 V024-9657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9657?
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What is the minimum amount of V024-9657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9657
  • 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 V024-9657 available by request