8008-2028 Screening compound: 4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](phenethyl)amino]-4-oxobutanoic acid

8008-2028 Screening compound: 4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](phenethyl)amino]-4-oxobutanoic acid
8008-2028 Screening compound: 4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](phenethyl)amino]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2028
4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](phenethyl)amino]-4-oxobutanoic 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

8008-2028

Molecular Formula

C22H21FN2O5 (C22 H21 FN2 O5)

Compound Name

4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](phenethyl)amino]-4-oxobutanoic acid

IUPAC name

3-{[1-(4-fluorophenyl)-25-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}propanoic acid

SMILES

OC(CCC(N(CCc1ccccc1)C(CC(N1c(cc2)ccc2F)=O)C1=O)=O)=O

InChI

InChI=1S/C22H21FN2O5/c23-16-6-8-17(9-7-16)25-20(27)14-18(22(25)30)24(19(26)10-11-21(28)29)13-12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,28,29)/t18-/m1/s1

InChI Key

AYIFVSYFSZZSMS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01240829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.313

Distribution Coefficient, logD

-1.637

Water Solubility, LogSw

-1.54

Polar Surface Area

71.993

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

8008-2028 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 8008-2028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2028?
Check Price and Availability of 8008-2028, 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 8008-2028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2028
  • 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 8008-2028 available by request