D698-0050 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D698-0050 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D698-0050 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0050
N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

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

D698-0050

Molecular Formula

C12H17N3O4S (C12 H17 N3 O4 S)

Compound Name

N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

N-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(N=C(NC1=O)O)=C1S(NC1C(CC2)CC2C1)(=O)=O

InChI

InChI=1S/C12H17N3O4S/c1-6-10(11(16)14-12(17)13-6)20(18,19)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H2,13,14,16,17)

InChI Key

JZEYETJCWURTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18487561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.210

Distribution Coefficient, logD

-6.427

Water Solubility, LogSw

-2.07

Polar Surface Area

94.758

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

D698-0050 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D698-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0050?
Check Price and Availability of D698-0050, 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 D698-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0050
  • 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 D698-0050 available by request