4476-4222 Screening compound: (2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-N,N-dimethylprop-2-enamide

4476-4222 Screening compound: (2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-N,N-dimethylprop-2-enamide
4476-4222 Screening compound: (2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-N,N-dimethylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4222
(2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-N,N-dimethylprop-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

4476-4222

Molecular Formula

C23H21ClN2O4 (C23 H21 ClN2 O4)

Compound Name

(2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-N,N-dimethylprop-2-enamide

IUPAC name

(2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methoxyphenyl)formamido]-NN-dimethylprop-2-enamide

SMILES

CN(C)C(/C(/NC(c(cc1)ccc1OC)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1)=O

InChI

InChI=1S/C23H21ClN2O4/c1-26(2)23(28)20(25-22(27)16-6-10-18(29-3)11-7-16)14-19-12-13-21(30-19)15-4-8-17(24)9-5-15/h4-14H,1-3H3,(H,25,27)

InChI Key

ZVHGDCJNWLZOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.60

Polar Surface Area

53.277

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4476-4222 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 4476-4222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4222?
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What is the minimum amount of 4476-4222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4222
  • 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 4476-4222 available by request