C066-5548 Screening compound: 1,3-dimethyl-6-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,6H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C066-5548 Screening compound: 1,3-dimethyl-6-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,6H-pyrrolo[2,3-d]pyrimidine-2,4-dione
C066-5548 Screening compound: 1,3-dimethyl-6-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,6H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5548
1,3-dimethyl-6-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,6H-pyrrolo[2,3-d]pyrimidine-2,4-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

C066-5548

Molecular Formula

C15H15N3O4S (C15 H15 N3 O4 S)

Compound Name

1,3-dimethyl-6-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,6H-pyrrolo[2,3-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-(4-methylbenzenesulfonyl)-1H2H3H4H6H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

Cc(cc1)ccc1S(C(C=C1C(N2C)=O)N=C1N(C)C2=O)(=O)=O

InChI

InChI=1S/C15H15N3O4S/c1-9-4-6-10(7-5-9)23(21,22)12-8-11-13(16-12)17(2)15(20)18(3)14(11)19/h4-8,12H,1-3H3/t12-/m0/s1

InChI Key

HZZBUGXLXIXWNW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14716254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.604

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-2.36

Polar Surface Area

69.918

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

C066-5548 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-5548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5548?
Check Price and Availability of C066-5548, 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 C066-5548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5548
  • 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 C066-5548 available by request