8018-7271 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide

8018-7271 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide
8018-7271 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7271
2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide

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

8018-7271

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-{4-[2-(propan-2-yl)-1H-imidazol-1-yl]phenyl}benzamide

SMILES

CC(C)c1nccn1-c(cc1)ccc1NC(c(ccc(SC)c1)c1OC)=O

InChI

InChI=1S/C21H23N3O2S/c1-14(2)20-22-11-12-24(20)16-7-5-15(6-8-16)23-21(25)18-10-9-17(27-4)13-19(18)26-3/h5-14H,1-4H3,(H,23,25)

InChI Key

GKZIRVDODAFWED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-4.36

Polar Surface Area

42.929

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8018-7271 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 8018-7271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7271?
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What is the minimum amount of 8018-7271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7271
  • 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 8018-7271 available by request