F813-2880 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-cyclohexylacetamide

F813-2880 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-cyclohexylacetamide
F813-2880 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-2880
2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-cyclohexylacetamide

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

F813-2880

Molecular Formula

C19H27N5OS2 (C19 H27 N5 OS2)

Compound Name

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

IUPAC name

2-{[2-(azepan-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc1c2sc(N3CCCCCC3)nc2ncn1)NC1CCCCC1

InChI

InChI=1S/C19H27N5OS2/c25-15(22-14-8-4-3-5-9-14)12-26-18-16-17(20-13-21-18)23-19(27-16)24-10-6-1-2-7-11-24/h13-14H,1-12H2,(H,22,25)

InChI Key

PDYQKVPCKYSUOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.15

Polar Surface Area

58.750

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

F813-2880 in Drug Discovery

Included in Screening Libraries

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 F813-2880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-2880?
Check Price and Availability of F813-2880, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F813-2880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-2880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-2880
  • 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 F813-2880 available by request