2189-1664 Screening compound: 3-[(furan-2-yl)methyl]-1-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}thiourea

2189-1664 Screening compound: 3-[(furan-2-yl)methyl]-1-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}thiourea
2189-1664 Screening compound: 3-[(furan-2-yl)methyl]-1-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1664
3-[(furan-2-yl)methyl]-1-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}thiourea

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

2189-1664

Molecular Formula

C15H11F7N2OS2 (C15 H11 F7 N2 OS2)

Compound Name

3-[(furan-2-yl)methyl]-1-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}thiourea

IUPAC name

3-[(furan-2-yl)methyl]-1-{4-[(1122333-heptafluoropropyl)sulfanyl]phenyl}thiourea

SMILES

FC(C(F)(F)F)(C(F)(F)Sc(cc1)ccc1NC(NCc1ccco1)=S)F

InChI

InChI=1S/C15H11F7N2OS2/c16-13(17,14(18,19)20)15(21,22)27-11-5-3-9(4-6-11)24-12(26)23-8-10-2-1-7-25-10/h1-7H,8H2,(H2,23,24,26)

InChI Key

VQZOUJZKSXJASA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.99

Polar Surface Area

28.132

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

2189-1664 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2189-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1664?
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What is the minimum amount of 2189-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1664
  • 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 2189-1664 available by request