8009-4687 Screening compound: 2-fluoro-N~1~-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazino)carbothioyl]benzamide

8009-4687 Screening compound: 2-fluoro-N~1~-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazino)carbothioyl]benzamide
8009-4687 Screening compound: 2-fluoro-N~1~-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazino)carbothioyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4687
2-fluoro-N~1~-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazino)carbothioyl]benzamide

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

8009-4687

Molecular Formula

C18H16FN3O2S (C18 H16 FN3 O2 S)

Compound Name

2-fluoro-N~1~-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazino)carbothioyl]benzamide

IUPAC name

(1S2S)-N-({[(2-fluorophenyl)formamido]methanethioyl}amino)-2-phenylcyclopropane-1-carboxamide

SMILES

O=C([C@@H](C1)[C@H]1c1ccccc1)NNC(NC(c(cccc1)c1F)=O)=S

InChI

InChI=1S/C18H16FN3O2S/c19-15-9-5-4-8-12(15)16(23)20-18(25)22-21-17(24)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H,21,24)(H2,20,22,23,25)/t13-,14-/m0/s1

InChI Key

WZMGWKHXLHIUJU-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-3.72

Polar Surface Area

61.596

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

8009-4687 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8009-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4687?
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What is the minimum amount of 8009-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4687
  • 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 8009-4687 available by request