5643-0518 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-3-methylbutanoate

5643-0518 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-3-methylbutanoate
5643-0518 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5643-0518
2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-3-methylbutanoate

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

5643-0518

Molecular Formula

C22H24ClNO6 (C22 H24 ClNO6)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-3-methylbutanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[(34-dimethoxyphenyl)formamido]-3-methylbutanoate

SMILES

CC(C)C(C(OCC(c(cc1)ccc1Cl)=O)=O)NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H24ClNO6/c1-13(2)20(22(27)30-12-17(25)14-5-8-16(23)9-6-14)24-21(26)15-7-10-18(28-3)19(11-15)29-4/h5-11,13,20H,12H2,1-4H3,(H,24,26)/t20-/m0/s1

InChI Key

CJHSZVNXWJOPER-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03725666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-4.10

Polar Surface Area

73.641

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5643-0518 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5643-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5643-0518?
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What is the minimum amount of 5643-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5643-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5643-0518
  • 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 5643-0518 available by request