P499-0813 Screening compound: 6-[1-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione

P499-0813 Screening compound: 6-[1-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
P499-0813 Screening compound: 6-[1-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P499-0813
6-[1-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-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

P499-0813

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

6-[1-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione

IUPAC name

6-[1-(34-dimethoxyphenyl)ethyl]-3-(pyridin-2-yl)-4H5H6H7H-[12]thiazolo[45-d]pyrimidine-57-dione

SMILES

CC(c(cc1)cc(OC)c1OC)N(C(c(snc1-c2ncccc2)c1N1)=O)C1=O

InChI

InChI=1S/C20H18N4O4S/c1-11(12-7-8-14(27-2)15(10-12)28-3)24-19(25)18-17(22-20(24)26)16(23-29-18)13-6-4-5-9-21-13/h4-11H,1-3H3,(H,22,26)/t11-/m0/s1

InChI Key

RCTIUNQNTIITFW-NSHDSACASA-N

MDL Number (MFCD)

MFCD22596199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.96

Polar Surface Area

72.868

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

P499-0813 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P499-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P499-0813?
Check Price and Availability of P499-0813, 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 P499-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P499-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P499-0813
  • 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 P499-0813 available by request