1503-0068 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide

1503-0068 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide
1503-0068 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0068
(2E)-3-phenyl-N-{2,2,2-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide

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

1503-0068

Molecular Formula

C23H21Cl3N2O (C23 H21 Cl3 N2 O)

Compound Name

(2E)-3-phenyl-N-{2,2,2-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-{222-trichloro-1-[ethyl(naphthalen-2-yl)amino]ethyl}prop-2-enamide

SMILES

CCN(C(C(Cl)(Cl)Cl)NC(/C=C/c1ccccc1)=O)c1cc2ccccc2cc1

InChI

InChI=1S/C23H21Cl3N2O/c1-2-28(20-14-13-18-10-6-7-11-19(18)16-20)22(23(24,25)26)27-21(29)15-12-17-8-4-3-5-9-17/h3-16,22H,2H2,1H3,(H,27,29)/t22-/m0/s1

InChI Key

OUGIKJIJGQNZKU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00648719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.832

Distribution Coefficient, logD

6.788

Water Solubility, LogSw

-6.53

Polar Surface Area

24.711

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

1503-0068 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1503-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0068?
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What is the minimum amount of 1503-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0068
  • 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 1503-0068 available by request