V018-4544 Screening compound: 1-(3-chlorophenyl)-3-(3-methylbutyl)-3-{[5-(morpholin-4-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea

V018-4544 Screening compound: 1-(3-chlorophenyl)-3-(3-methylbutyl)-3-{[5-(morpholin-4-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea
V018-4544 Screening compound: 1-(3-chlorophenyl)-3-(3-methylbutyl)-3-{[5-(morpholin-4-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4544
1-(3-chlorophenyl)-3-(3-methylbutyl)-3-{[5-(morpholin-4-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

V018-4544

Molecular Formula

C26H31ClN4O3 (C26 H31 ClN4 O3)

Compound Name

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

IUPAC name

1-(3-chlorophenyl)-3-(3-methylbutyl)-3-{[5-(morpholin-4-yl)-3-phenyl-12-oxazol-4-yl]methyl}urea

SMILES

CC(C)CCN(Cc1c(N2CCOCC2)onc1-c1ccccc1)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C26H31ClN4O3/c1-19(2)11-12-31(26(32)28-22-10-6-9-21(27)17-22)18-23-24(20-7-4-3-5-8-20)29-34-25(23)30-13-15-33-16-14-30/h3-10,17,19H,11-16,18H2,1-2H3,(H,28,32)

InChI Key

RJNZQGNSVGXICX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

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

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.93

Polar Surface Area

59.455

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V018-4544 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-4544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4544?
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What is the minimum amount of V018-4544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4544
  • 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 V018-4544 available by request