8014-9680 Screening compound: 2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

8014-9680 Screening compound: 2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
8014-9680 Screening compound: 2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9680
2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-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

8014-9680

Molecular Formula

C29H27FN4O3S (C29 H27 FN4 O3 S)

Compound Name

2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

IUPAC name

2-(1-benzyl-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

SMILES

O=C(CC(C(N1Cc2ccccc2)=O)N(Cc(cc2)ccc2N(CCC2)C2=O)C1=S)Nc(cc1)ccc1F

InChI

InChI=1S/C29H27FN4O3S/c30-22-10-12-23(13-11-22)31-26(35)17-25-28(37)34(19-20-5-2-1-3-6-20)29(38)33(25)18-21-8-14-24(15-9-21)32-16-4-7-27(32)36/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,31,35)/t25-/m1/s1

InChI Key

RHYYQVKLNSPJCT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03821311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-4.08

Polar Surface Area

58.825

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

8014-9680 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 8014-9680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9680?
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What is the minimum amount of 8014-9680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9680
  • 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 8014-9680 available by request