8008-2215 Screening compound: 3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid

8008-2215 Screening compound: 3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid
8008-2215 Screening compound: 3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2215
3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid

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

8008-2215

Molecular Formula

C20H20N2O7 (C20 H20 N2 O7)

Compound Name

3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid

IUPAC name

3-{[(furan-2-yl)methyl][1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]carbamoyl}propanoic acid

SMILES

COc(cc1)ccc1N(C(CC1N(Cc2ccco2)C(CCC(O)=O)=O)=O)C1=O

InChI

InChI=1S/C20H20N2O7/c1-28-14-6-4-13(5-7-14)22-18(24)11-16(20(22)27)21(12-15-3-2-10-29-15)17(23)8-9-19(25)26/h2-7,10,16H,8-9,11-12H2,1H3,(H,25,26)/t16-/m0/s1

InChI Key

IQIZAESOTIIRJD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01240841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.366

Distribution Coefficient, logD

-2.583

Water Solubility, LogSw

-1.27

Polar Surface Area

87.307

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8008-2215 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 8008-2215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2215?
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What is the minimum amount of 8008-2215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2215
  • 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 8008-2215 available by request