3141-0106 Screening compound: 5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-2,5-dihydro-1H-pyrrol-2-one

3141-0106 Screening compound: 5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-2,5-dihydro-1H-pyrrol-2-one
3141-0106 Screening compound: 5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3141-0106
5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-2,5-dihydro-1H-pyrrol-2-one

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

3141-0106

Molecular Formula

C20H17FN2O6 (C20 H17 FN2 O6)

Compound Name

5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-nitrobenzoyl)-25-dihydro-1H-pyrrol-2-one

SMILES

[O-][N+](c(cc1)ccc1C(C(C(c(cc1)ccc1F)N(CCCO)C1=O)=C1O)=O)=O

InChI

InChI=1S/C20H17FN2O6/c21-14-6-2-12(3-7-14)17-16(19(26)20(27)22(17)10-1-11-24)18(25)13-4-8-15(9-5-13)23(28)29/h2-9,17,24,26H,1,10-11H2/t17-/m1/s1

InChI Key

YLDNWBWTVKGRMH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03015650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-2.62

Polar Surface Area

95.114

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3141-0106 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 3141-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3141-0106?
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What is the minimum amount of 3141-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3141-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3141-0106
  • 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 3141-0106 available by request