8017-1773 Screening compound: 1-[1-(4-fluorobenzyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

8017-1773 Screening compound: 1-[1-(4-fluorobenzyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide
8017-1773 Screening compound: 1-[1-(4-fluorobenzyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1773
1-[1-(4-fluorobenzyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

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

8017-1773

Molecular Formula

C17H20FN3O3 (C17 H20 FN3 O3)

Compound Name

1-[1-(4-fluorobenzyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-4-piperidinecarboxamide

IUPAC name

1-{1-[(4-fluorophenyl)methyl]-25-dioxopyrrolidin-3-yl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CC(N1Cc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C17H20FN3O3/c18-13-3-1-11(2-4-13)10-21-15(22)9-14(17(21)24)20-7-5-12(6-8-20)16(19)23/h1-4,12,14H,5-10H2,(H2,19,23)/t14-/m1/s1

InChI Key

SGSCEPZXZFEJLA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06007883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.097

Distribution Coefficient, logD

0.026

Water Solubility, LogSw

-1.54

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

8017-1773 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-1773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1773?
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What is the minimum amount of 8017-1773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1773
  • 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 8017-1773 available by request