1491-0319 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)benzamide

1491-0319 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)benzamide
1491-0319 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0319
2-methyl-N-(2,2,2-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)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

1491-0319

Molecular Formula

C19H19Cl3N4O2S (C19 H19 Cl3 N4 O2 S)

Compound Name

2-methyl-N-(2,2,2-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

2-methyl-N-(222-trichloro-1-{[(4-acetamidophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

CC(Nc(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(c1c(C)cccc1)=O)=S)=O

InChI

InChI=1S/C19H19Cl3N4O2S/c1-11-5-3-4-6-15(11)16(28)25-17(19(20,21)22)26-18(29)24-14-9-7-13(8-10-14)23-12(2)27/h3-10,17H,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29)/t17-/m0/s1

InChI Key

MZCFUSHRHQEVOK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00225777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-4.34

Polar Surface Area

66.622

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 1491-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0319?
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What is the minimum amount of 1491-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0319
  • 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 1491-0319 available by request