F667-0255 Screening compound: 1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

F667-0255 Screening compound: 1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
F667-0255 Screening compound: 1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F667-0255
1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

F667-0255

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

1,3,6-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

136-trimethyl-5-{4-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}-1234-tetrahydropyrimidine-24-dione

SMILES

Cc1cccc(CSCc2ccc(C(N(CC3)CCN3C(C(N3C)=O)=C(C)N(C)C3=O)=O)o2)c1

InChI

InChI=1S/C25H30N4O4S/c1-17-6-5-7-19(14-17)15-34-16-20-8-9-21(33-20)23(30)29-12-10-28(11-13-29)22-18(2)26(3)25(32)27(4)24(22)31/h5-9,14H,10-13,15-16H2,1-4H3

InChI Key

AJBCGMRWYCBWKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.25

Polar Surface Area

59.239

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F667-0255 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F667-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F667-0255?
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What is the minimum amount of F667-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F667-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F667-0255
  • 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 F667-0255 available by request