F813-2826 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide

F813-2826 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
F813-2826 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-2826
2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)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

F813-2826

Molecular Formula

C20H21N5O3S2 (C20 H21 N5 O3 S2)

Compound Name

2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide

IUPAC name

2-{[2-(azepan-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}-N-(2H-13-benzodioxol-5-yl)acetamide

SMILES

O=C(CSc1c2sc(N3CCCCCC3)nc2ncn1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H21N5O3S2/c26-16(23-13-5-6-14-15(9-13)28-12-27-14)10-29-19-17-18(21-11-22-19)24-20(30-17)25-7-3-1-2-4-8-25/h5-6,9,11H,1-4,7-8,10,12H2,(H,23,26)

InChI Key

JTQXOOKBLHQDOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.23

Polar Surface Area

74.818

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with F813-2826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-2826?
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What is the minimum amount of F813-2826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-2826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-2826
  • 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 F813-2826 available by request