8018-4804 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide

8018-4804 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
8018-4804 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4804
N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)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

8018-4804

Molecular Formula

C16H18ClF2N3O2S2 (C16 H18 ClF2 N3 O2 S2)

Compound Name

N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide

SMILES

Cc1c(CCSC)[nH]c(SCC(Nc(cc2)ccc2OC(F)(F)Cl)=O)n1

InChI

InChI=1S/C16H18ClF2N3O2S2/c1-10-13(7-8-25-2)22-15(20-10)26-9-14(23)21-11-3-5-12(6-4-11)24-16(17,18)19/h3-6H,7-9H2,1-2H3,(H,20,22)(H,21,23)

InChI Key

BNUAEKLEAYUTAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.654

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-4.25

Polar Surface Area

49.768

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8018-4804 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4804?
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What is the minimum amount of 8018-4804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4804
  • 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 8018-4804 available by request