L493-0094 Screening compound: methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

L493-0094 Screening compound: methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate
L493-0094 Screening compound: methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L493-0094
methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

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

L493-0094

Molecular Formula

C22H26ClN3O4 (C22 H26 ClN3 O4)

Compound Name

methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

IUPAC name

methyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

SMILES

CCN(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H26ClN3O4/c1-3-25-10-12-26(13-11-25)20-9-4-16(22(28)29-2)14-19(20)24-21(27)15-30-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)

InChI Key

GPVZKXKENGFCTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06665186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-4.43

Polar Surface Area

57.780

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L493-0094 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with L493-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L493-0094?
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What is the minimum amount of L493-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L493-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L493-0094
  • 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 L493-0094 available by request