F813-1967 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

F813-1967 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one
F813-1967 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-1967
1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

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

F813-1967

Molecular Formula

C20H21N5O2S3 (C20 H21 N5 O2 S3)

Compound Name

1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

IUPAC name

1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-{[2-(thiomorpholin-4-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSc1ncnc2c1sc(N1CCSCC1)n2)=O

InChI

InChI=1S/C20H21N5O2S3/c1-13-2-3-15-14(10-13)25(4-7-27-15)16(26)11-29-19-17-18(21-12-22-19)23-20(30-17)24-5-8-28-9-6-24/h2-3,10,12H,4-9,11H2,1H3

InChI Key

NVMNQFKFVWDXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-3.89

Polar Surface Area

57.231

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F813-1967 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F813-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-1967?
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What is the minimum amount of F813-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-1967
  • 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 F813-1967 available by request