1491-0122 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(2,4-dimethylphenyl)amino]ethyl}benzamide

1491-0122 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(2,4-dimethylphenyl)amino]ethyl}benzamide
1491-0122 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(2,4-dimethylphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0122
4-methoxy-N-{2,2,2-trichloro-1-[(2,4-dimethylphenyl)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

1491-0122

Molecular Formula

C18H19Cl3N2O2 (C18 H19 Cl3 N2 O2)

Compound Name

4-methoxy-N-{2,2,2-trichloro-1-[(2,4-dimethylphenyl)amino]ethyl}benzamide

IUPAC name

4-methoxy-N-{222-trichloro-1-[(24-dimethylphenyl)amino]ethyl}benzamide

SMILES

Cc(cc1)cc(C)c1NC(C(Cl)(Cl)Cl)NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H19Cl3N2O2/c1-11-4-9-15(12(2)10-11)22-17(18(19,20)21)23-16(24)13-5-7-14(25-3)8-6-13/h4-10,17,22H,1-3H3,(H,23,24)/t17-/m1/s1

InChI Key

FSHZOOLNAFFFAY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00382207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.88

Polar Surface Area

40.296

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

1491-0122 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1491-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0122?
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What is the minimum amount of 1491-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0122
  • 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 1491-0122 available by request