C799-0404 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]acetamide

C799-0404 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]acetamide
C799-0404 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0404
2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]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

C799-0404

Molecular Formula

C22H23ClN2O3S (C22 H23 ClN2 O3 S)

Compound Name

2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]acetamide

IUPAC name

2-[N-(4-chlorophenyl)-1-(2-methyl-56-dihydro-14-oxathiin-3-yl)formamido]-N-[(2-methylphenyl)methyl]acetamide

SMILES

Cc1c(CNC(CN(C(C2=C(C)OCCS2)=O)c(cc2)ccc2Cl)=O)cccc1

InChI

InChI=1S/C22H23ClN2O3S/c1-15-5-3-4-6-17(15)13-24-20(26)14-25(19-9-7-18(23)8-10-19)22(27)21-16(2)28-11-12-29-21/h3-10H,11-14H2,1-2H3,(H,24,26)

InChI Key

GJESWZGKNUOJET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.39

Polar Surface Area

48.332

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C799-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0404?
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What is the minimum amount of C799-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0404
  • 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 C799-0404 available by request