P499-0821 Screening compound: 6-[4-(dimethylamino)benzyl]-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

P499-0821 Screening compound: 6-[4-(dimethylamino)benzyl]-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
P499-0821 Screening compound: 6-[4-(dimethylamino)benzyl]-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P499-0821
6-[4-(dimethylamino)benzyl]-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidine-5,7(4H,6H)-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

P499-0821

Molecular Formula

C19H17N5O2S (C19 H17 N5 O2 S)

Compound Name

6-[4-(dimethylamino)benzyl]-3-(2-pyridyl)isothiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

IUPAC name

6-{[4-(dimethylamino)phenyl]methyl}-3-(pyridin-2-yl)-4H5H6H7H-[12]thiazolo[45-d]pyrimidine-57-dione

SMILES

CN(C)c1ccc(CN(C(c(snc2-c3ncccc3)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C19H17N5O2S/c1-23(2)13-8-6-12(7-9-13)11-24-18(25)17-16(21-19(24)26)15(22-27-17)14-5-3-4-10-20-14/h3-10H,11H2,1-2H3,(H,21,26)

InChI Key

KJTBEVXPHGNGIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.13

Polar Surface Area

61.071

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with P499-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P499-0821?
Check Price and Availability of P499-0821, 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 P499-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P499-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P499-0821
  • 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 P499-0821 available by request