8015-2585 Screening compound: ethyl 4-[3-(4-cyclohexylpiperazino)-2,5-dioxo-1-pyrrolidinyl]benzoate

8015-2585 Screening compound: ethyl 4-[3-(4-cyclohexylpiperazino)-2,5-dioxo-1-pyrrolidinyl]benzoate
8015-2585 Screening compound: ethyl 4-[3-(4-cyclohexylpiperazino)-2,5-dioxo-1-pyrrolidinyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2585
ethyl 4-[3-(4-cyclohexylpiperazino)-2,5-dioxo-1-pyrrolidinyl]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

8015-2585

Molecular Formula

C23H31N3O4 (C23 H31 N3 O4)

Compound Name

ethyl 4-[3-(4-cyclohexylpiperazino)-2,5-dioxo-1-pyrrolidinyl]benzoate

IUPAC name

ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)-25-dioxopyrrolidin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCN2C2CCCCC2)=O)C1=O)=O

InChI

InChI=1S/C23H31N3O4/c1-2-30-23(29)17-8-10-19(11-9-17)26-21(27)16-20(22(26)28)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h8-11,18,20H,2-7,12-16H2,1H3/t20-/m0/s1

InChI Key

GOAAUPBHWVHEHC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03916304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

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

2.480

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.51

Polar Surface Area

55.835

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

8015-2585 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 8015-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2585?
Check Price and Availability of 8015-2585, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2585
  • 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 8015-2585 available by request