C249-0123 Screening compound: (4Z)-1-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one

C249-0123 Screening compound: (4Z)-1-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-5-one
C249-0123 Screening compound: (4Z)-1-(4-ethoxyphenyl)-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 C249-0123
(4Z)-1-(4-ethoxyphenyl)-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

C249-0123

Molecular Formula

C27H31N3O5S (C27 H31 N3 O5 S)

Compound Name

(4Z)-1-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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)ccc2OCC)=N/C1=C\c(cc1)ccc1OC

InChI

InChI=1S/C27H31N3O5S/c1-4-24(26(32)29-14-16-34-17-15-29)36-27-28-23(18-19-6-10-21(33-3)11-7-19)25(31)30(27)20-8-12-22(13-9-20)35-5-2/h6-13,18,24H,4-5,14-17H2,1-3H3/t24-/m0/s1

InChI Key

PKKFUTKNBCLXRK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14735324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.06

Polar Surface Area

64.845

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C249-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0123?
Check Price and Availability of C249-0123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C249-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0123
  • 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 C249-0123 available by request