C331-1697 Screening compound: 2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

C331-1697 Screening compound: 2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
C331-1697 Screening compound: 2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1697
2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

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

C331-1697

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

IUPAC name

2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

SMILES

COCCCNC(CSc1c(-c(cc2)ccc2OC)[nH]c(-c2cc(OC)ccc2)n1)=O

InChI

InChI=1S/C23H27N3O4S/c1-28-13-5-12-24-20(27)15-31-23-21(16-8-10-18(29-2)11-9-16)25-22(26-23)17-6-4-7-19(14-17)30-3/h4,6-11,14H,5,12-13,15H2,1-3H3,(H,24,27)(H,25,26)

InChI Key

XTZWRBVXKHLIRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.14

Polar Surface Area

67.930

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C331-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1697
  • 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 C331-1697 available by request