8010-1068 Screening compound: ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

8010-1068 Screening compound: ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
8010-1068 Screening compound: ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1068
ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-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

8010-1068

Molecular Formula

C23H24ClN3O4 (C23 H24 ClN3 O4)

Compound Name

ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCN2c(cccc2)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C23H24ClN3O4/c1-2-31-23(30)16-7-9-17(10-8-16)27-21(28)15-20(22(27)29)26-13-11-25(12-14-26)19-6-4-3-5-18(19)24/h3-10,20H,2,11-15H2,1H3/t20-/m0/s1

InChI Key

ACVLKVNDZSSLPZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01871216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.53

Polar Surface Area

55.701

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

8010-1068 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1068?
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What is the minimum amount of 8010-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1068
  • 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 8010-1068 available by request