5593-1186 Screening compound: ethyl 4-{3-[(1-benzylpiperidin-4-yl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate

5593-1186 Screening compound: ethyl 4-{3-[(1-benzylpiperidin-4-yl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate
5593-1186 Screening compound: ethyl 4-{3-[(1-benzylpiperidin-4-yl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1186
ethyl 4-{3-[(1-benzylpiperidin-4-yl)amino]-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

5593-1186

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

ethyl 4-{3-[(1-benzylpiperidin-4-yl)amino]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1NC2CCN(Cc3ccccc3)CC2)=O)C1=O)=O

InChI

InChI=1S/C25H29N3O4/c1-2-32-25(31)19-8-10-21(11-9-19)28-23(29)16-22(24(28)30)26-20-12-14-27(15-13-20)17-18-6-4-3-5-7-18/h3-11,20,22,26H,2,12-17H2,1H3/t22-/m0/s1

InChI Key

PJSMLXNHQZCQEP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01829880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.66

Polar Surface Area

64.928

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5593-1186 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 5593-1186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1186?
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What is the minimum amount of 5593-1186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1186
  • 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 5593-1186 available by request