8017-7266 Screening compound: ethyl 4-{3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-2,5-dioxo-1-pyrrolidinyl}benzoate

8017-7266 Screening compound: ethyl 4-{3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-2,5-dioxo-1-pyrrolidinyl}benzoate
8017-7266 Screening compound: ethyl 4-{3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-2,5-dioxo-1-pyrrolidinyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7266
ethyl 4-{3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-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

8017-7266

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

ethyl 4-{3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-2,5-dioxo-1-pyrrolidinyl}benzoate

IUPAC name

ethyl 4-{3-[4-(46-dimethylpyrimidin-2-yl)piperazin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCN2c2nc(C)cc(C)n2)=O)C1=O)=O

InChI

InChI=1S/C23H27N5O4/c1-4-32-22(31)17-5-7-18(8-6-17)28-20(29)14-19(21(28)30)26-9-11-27(12-10-26)23-24-15(2)13-16(3)25-23/h5-8,13,19H,4,9-12,14H2,1-3H3/t19-/m0/s1

InChI Key

FNOJPYKFMIWEBV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06617725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.44

Polar Surface Area

73.113

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

8017-7266 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with 8017-7266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7266?
Check Price and Availability of 8017-7266, 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 8017-7266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7266
  • 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 8017-7266 available by request