P422-0784 Screening compound: 6-butyl-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0784 Screening compound: 6-butyl-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0784 Screening compound: 6-butyl-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P422-0784
6-butyl-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

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

P422-0784

Molecular Formula

C17H22N4O5S (C17 H22 N4 O5 S)

Compound Name

6-butyl-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

6-butyl-3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

CCCCN(C(c1nsc(C(N(CC2)CCC22OCCO2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C17H22N4O5S/c1-2-3-6-21-14(22)12-11(18-16(21)24)13(27-19-12)15(23)20-7-4-17(5-8-20)25-9-10-26-17/h2-10H2,1H3,(H,18,24)

InChI Key

XSJHNUOGYJKICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

0.487

Water Solubility, LogSw

-2.08

Polar Surface Area

80.916

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

P422-0784 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P422-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0784?
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What is the minimum amount of P422-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0784
  • 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 P422-0784 available by request