8005-8908 Screening compound: 2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

8005-8908 Screening compound: 2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
8005-8908 Screening compound: 2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8908
2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

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

8005-8908

Molecular Formula

C18H14ClFN2O3S (C18 H14 ClFN2 O3 S)

Compound Name

2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{[1-(4-chlorophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

SMILES

O=C(CSC(CC(N1c(cc2)ccc2Cl)=O)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C18H14ClFN2O3S/c19-11-1-7-14(8-2-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-5-3-12(20)4-6-13/h1-8,15H,9-10H2,(H,21,23)/t15-/m1/s1

InChI Key

RJFNICPITLZNLN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00470015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.54

Polar Surface Area

52.307

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8005-8908 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 8005-8908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8908?
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What is the minimum amount of 8005-8908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8908
  • 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 8005-8908 available by request