SC72-0404 Screening compound: (2'-cyclohexyl-1H,7'H-spiro[azetidine-3,5'-furo[3,4-d]pyrimidin]-1-yl)(2-methylpyridin-4-yl)methanone

SC72-0404 Screening compound: (2'-cyclohexyl-1H,7'H-spiro[azetidine-3,5'-furo[3,4-d]pyrimidin]-1-yl)(2-methylpyridin-4-yl)methanone
SC72-0404 Screening compound: (2'-cyclohexyl-1H,7'H-spiro[azetidine-3,5'-furo[3,4-d]pyrimidin]-1-yl)(2-methylpyridin-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC72-0404
(2'-cyclohexyl-1H,7'H-spiro[azetidine-3,5'-furo[3,4-d]pyrimidin]-1-yl)(2-methylpyridin-4-yl)methanone

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

SC72-0404

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

(2'-cyclohexyl-1H,7'H-spiro[azetidine-3,5'-furo[3,4-d]pyrimidin]-1-yl)(2-methylpyridin-4-yl)methanone

IUPAC name

2'-cyclohexyl-1-(2-methylpyridine-4-carbonyl)-7'H-spiro[azetidine-35'-furo[34-d]pyrimidine]

SMILES

Cc1nccc(C(N(C2)CC22OCc3c2cnc(C2CCCCC2)n3)=O)c1

InChI

InChI=1S/C21H24N4O2/c1-14-9-16(7-8-22-14)20(26)25-12-21(13-25)17-10-23-19(24-18(17)11-27-21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3

InChI Key

MEEJWNZQKKEORO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.75

Polar Surface Area

54.263

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

SC72-0404 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 SC72-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC72-0404?
Check Price and Availability of SC72-0404, 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 SC72-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC72-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC72-0404
  • 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 SC72-0404 available by request