P422-0777 Screening compound: 6-butyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0777 Screening compound: 6-butyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0777 Screening compound: 6-butyl-3-[4-(propan-2-yl)piperazine-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 P422-0777
6-butyl-3-[4-(propan-2-yl)piperazine-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

P422-0777

Molecular Formula

C17H25N5O3S (C17 H25 N5 O3 S)

Compound Name

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

IUPAC name

6-butyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

CCCCN(C(c1nsc(C(N(CC2)CCN2C(C)C)=O)c1N1)=O)C1=O

InChI

InChI=1S/C17H25N5O3S/c1-4-5-6-22-15(23)13-12(18-17(22)25)14(26-19-13)16(24)21-9-7-20(8-10-21)11(2)3/h11H,4-10H2,1-3H3,(H,18,25)

InChI Key

FBSUQJPXAWRXMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

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

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-2.46

Polar Surface Area

70.343

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

P422-0777 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P422-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0777?
Check Price and Availability of P422-0777, 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 P422-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0777
  • 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 P422-0777 available by request