SA87-0954 Screening compound: 3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)urea

SA87-0954 Screening compound: 3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)urea
SA87-0954 Screening compound: 3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0954
3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)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

SA87-0954

Molecular Formula

C16H23N3O5 (C16 H23 N3 O5)

Compound Name

3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)urea

IUPAC name

3-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-1-(3-methoxyphenyl)urea

SMILES

COCCN(CC(CNC(Nc1cc(OC)ccc1)=O)OC1)C1=O

InChI

InChI=1S/C16H23N3O5/c1-22-7-6-19-10-14(24-11-15(19)20)9-17-16(21)18-12-4-3-5-13(8-12)23-2/h3-5,8,14H,6-7,9-11H2,1-2H3,(H2,17,18,21)/t14-/m1/s1

InChI Key

NAQNFGWXBFYNOD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32241787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.455

Distribution Coefficient, logD

0.455

Water Solubility, LogSw

-2.01

Polar Surface Area

75.424

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA87-0954 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 SA87-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0954?
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What is the minimum amount of SA87-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0954
  • 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 SA87-0954 available by request