M867-0173 Screening compound: 6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

M867-0173 Screening compound: 6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
M867-0173 Screening compound: 6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M867-0173
6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-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

M867-0173

Molecular Formula

C18H17FN4O3S (C18 H17 FN4 O3 S)

Compound Name

6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

6-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

O=C(CN(c1csnc1C(N1Cc(cc2)ccc2F)=O)C1=O)N1CCCC1

InChI

InChI=1S/C18H17FN4O3S/c19-13-5-3-12(4-6-13)9-23-17(25)16-14(11-27-20-16)22(18(23)26)10-15(24)21-7-1-2-8-21/h3-6,11H,1-2,7-10H2

InChI Key

YEXJYWXGOIOYFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27555621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.51

Polar Surface Area

59.117

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M867-0173 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 M867-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M867-0173?
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What is the minimum amount of M867-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M867-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M867-0173
  • 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 M867-0173 available by request