F711-0213 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)acetamide

F711-0213 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)acetamide
F711-0213 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F711-0213
2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)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

F711-0213

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)acetamide

IUPAC name

2-(2-{[(25-dimethylphenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(Cn1c(SCc2c(C)ccc(C)c2)ncc1CO)=O

InChI

InChI=1S/C18H25N3O2S/c1-12(2)20-17(23)9-21-16(10-22)8-19-18(21)24-11-15-7-13(3)5-6-14(15)4/h5-8,12,22H,9-11H2,1-4H3,(H,20,23)

InChI Key

UWJHQCJRMQFFIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08932847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-2.94

Polar Surface Area

52.076

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F711-0213 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F711-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F711-0213?
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What is the minimum amount of F711-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F711-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F711-0213
  • 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 F711-0213 available by request