P422-0764 Screening compound: 6-butyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0764 Screening compound: 6-butyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0764 Screening compound: 6-butyl-3-[4-(pyrimidin-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 P422-0764
6-butyl-3-[4-(pyrimidin-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

P422-0764

Molecular Formula

C18H21N7O3S (C18 H21 N7 O3 S)

Compound Name

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

SMILES

CCCCN(C(c1nsc(C(N(CC2)CCN2c2ncccn2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C18H21N7O3S/c1-2-3-7-25-15(26)13-12(21-18(25)28)14(29-22-13)16(27)23-8-10-24(11-9-23)17-19-5-4-6-20-17/h4-6H,2-3,7-11H2,1H3,(H,21,28)

InChI Key

WIRAYQDPRPNRKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.862

Distribution Coefficient, logD

1.224

Water Solubility, LogSw

-2.54

Polar Surface Area

88.102

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P422-0764 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P422-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0764?
Check Price and Availability of P422-0764, 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 P422-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0764
  • 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 P422-0764 available by request