C249-0159 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one

C249-0159 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one
C249-0159 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0159
(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one

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

C249-0159

Molecular Formula

C26H28ClN3O5S (C26 H28 ClN3 O5 S)

Compound Name

(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-45-dihydro-1H-imidazol-5-one

SMILES

CCC(C(N1CCOCC1)=O)SC(N(C1=O)c(cc2)cc(Cl)c2OC)=N/C1=C\c(cc1)ccc1OC

InChI

InChI=1S/C26H28ClN3O5S/c1-4-23(25(32)29-11-13-35-14-12-29)36-26-28-21(15-17-5-8-19(33-2)9-6-17)24(31)30(26)18-7-10-22(34-3)20(27)16-18/h5-10,15-16,23H,4,11-14H2,1-3H3/t23-/m0/s1

InChI Key

DZHCPKAEPGKTCS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14735347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.64

Polar Surface Area

65.352

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C249-0159 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 C249-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0159?
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What is the minimum amount of C249-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0159
  • 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 C249-0159 available by request