4158-2808 Screening compound: 3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one

4158-2808 Screening compound: 3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one
4158-2808 Screening compound: 3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-2808
3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one

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

4158-2808

Molecular Formula

C23H22ClNOS (C23 H22 ClNOS)

Compound Name

3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one

IUPAC name

3-[(4-chlorophenyl)amino]-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one

SMILES

Cc(cc1)ccc1C(CC(c(cc1)ccc1SC)Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H22ClNOS/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(27-2)14-8-17)25-20-11-9-19(24)10-12-20/h3-14,22,25H,15H2,1-2H3/t22-/m0/s1

InChI Key

VSUFJRRMBYEUTH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02852886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.735

Distribution Coefficient, logD

6.735

Water Solubility, LogSw

-6.53

Polar Surface Area

23.079

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 4158-2808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-2808?
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What is the minimum amount of 4158-2808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-2808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-2808
  • 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 4158-2808 available by request