8008-1997 Screening compound: methyl 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate

8008-1997 Screening compound: methyl 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
8008-1997 Screening compound: methyl 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1997
methyl 4-[3-(4-benzylpiperazin-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

8008-1997

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

methyl 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate

IUPAC name

methyl 4-[3-(4-benzylpiperazin-1-yl)-25-dioxopyrrolidin-1-yl]benzoate

SMILES

COC(c(cc1)ccc1N(C(CC1N2CCN(Cc3ccccc3)CC2)=O)C1=O)=O

InChI

InChI=1S/C23H25N3O4/c1-30-23(29)18-7-9-19(10-8-18)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3/t20-/m0/s1

InChI Key

BZBFJEKCWGCIHZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01239963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-1.90

Polar Surface Area

56.702

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8008-1997 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 8008-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1997?
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What is the minimum amount of 8008-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1997
  • 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 8008-1997 available by request