P422-0754 Screening compound: 6-butyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0754 Screening compound: 6-butyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0754 Screening compound: 6-butyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P422-0754
6-butyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-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

P422-0754

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

6-butyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

6-butyl-3-(4-phenyl-1236-tetrahydropyridine-1-carbonyl)-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

CCCCN(C(c1nsc(C(N(CC2)CC=C2c2ccccc2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C21H22N4O3S/c1-2-3-11-25-19(26)17-16(22-21(25)28)18(29-23-17)20(27)24-12-9-15(10-13-24)14-7-5-4-6-8-14/h4-9H,2-3,10-13H2,1H3,(H,22,28)

InChI Key

GVKJILSVFNYMEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.54

Polar Surface Area

66.208

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P422-0754 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 P422-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0754?
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What is the minimum amount of P422-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0754
  • 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 P422-0754 available by request