2535-3090 Screening compound: (4E)-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

2535-3090 Screening compound: (4E)-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
2535-3090 Screening compound: (4E)-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2535-3090
(4E)-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-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

2535-3090

Molecular Formula

C26H23ClN2O4 (C26 H23 ClN2 O4)

Compound Name

(4E)-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-1-(3-chloro-2-methylphenyl)-2-(34-dimethoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-45-dihydro-1H-imidazol-5-one

SMILES

Cc(c(N(C1=O)C(c(cc2)cc(OC)c2OC)=N/C1=C/c(cccc1)c1OC)ccc1)c1Cl

InChI

InChI=1S/C26H23ClN2O4/c1-16-19(27)9-7-10-21(16)29-25(18-12-13-23(32-3)24(15-18)33-4)28-20(26(29)30)14-17-8-5-6-11-22(17)31-2/h5-15H,1-4H3

InChI Key

AMENAVGEMNIHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-6.00

Polar Surface Area

47.519

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2535-3090 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 2535-3090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2535-3090?
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What is the minimum amount of 2535-3090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2535-3090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2535-3090
  • 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 2535-3090 available by request