M867-1117 Screening compound: 2-{6-cyclopropyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(4-fluorophenyl)acetamide

M867-1117 Screening compound: 2-{6-cyclopropyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(4-fluorophenyl)acetamide
M867-1117 Screening compound: 2-{6-cyclopropyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M867-1117
2-{6-cyclopropyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-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

M867-1117

Molecular Formula

C16H13FN4O3S (C16 H13 FN4 O3 S)

Compound Name

2-{6-cyclopropyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{6-cyclopropyl-57-dioxo-4H5H6H7H-[12]thiazolo[43-d]pyrimidin-4-yl}-N-(4-fluorophenyl)acetamide

SMILES

O=C(CN(c1csnc1C(N1C2CC2)=O)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C16H13FN4O3S/c17-9-1-3-10(4-2-9)18-13(22)7-20-12-8-25-19-14(12)15(23)21(16(20)24)11-5-6-11/h1-4,8,11H,5-7H2,(H,18,22)

InChI Key

YWHJJTGLSWVTQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22594412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.79

Polar Surface Area

65.060

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M867-1117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M867-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M867-1117?
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What is the minimum amount of M867-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M867-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M867-1117
  • 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 M867-1117 available by request