F711-0239 Screening compound: 2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide

F711-0239 Screening compound: 2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
F711-0239 Screening compound: 2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F711-0239
2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)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

F711-0239

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-({1-[(cyclopropylcarbamoyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1ncc(CO)n1CC(NC1CC1)=O)=O

InChI

InChI=1S/C20H26N4O3S/c1-12-6-13(2)19(14(3)7-12)23-18(27)11-28-20-21-8-16(10-25)24(20)9-17(26)22-15-4-5-15/h6-8,15,25H,4-5,9-11H2,1-3H3,(H,22,26)(H,23,27)

InChI Key

IGUJOSJERJGOLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08538372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-2.36

Polar Surface Area

74.641

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F711-0239 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 F711-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F711-0239?
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What is the minimum amount of F711-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F711-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F711-0239
  • 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 F711-0239 available by request