3190-0114 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide

3190-0114 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide
3190-0114 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3190-0114
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide

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

3190-0114

Molecular Formula

C27H24ClFN2O5 (C27 H24 ClFN2 O5)

Compound Name

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide

IUPAC name

N-[1-(4-chlorophenyl)-25-dioxopyrrolidin-3-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-3-fluorobenzamide

SMILES

COc(ccc(CCN(C(CC(N1c(cc2)ccc2Cl)=O)C1=O)C(c1cc(F)ccc1)=O)c1)c1OC

InChI

InChI=1S/C27H24ClFN2O5/c1-35-23-11-6-17(14-24(23)36-2)12-13-30(26(33)18-4-3-5-20(29)15-18)22-16-25(32)31(27(22)34)21-9-7-19(28)8-10-21/h3-11,14-15,22H,12-13,16H2,1-2H3/t22-/m1/s1

InChI Key

FLERXDQYZDLKSS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01629315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.99

Polar Surface Area

59.126

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

3190-0114 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 3190-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3190-0114?
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What is the minimum amount of 3190-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3190-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3190-0114
  • 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 3190-0114 available by request