D698-0045 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-1,6-dihydropyrimidine-5-sulfonamide

D698-0045 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-1,6-dihydropyrimidine-5-sulfonamide
D698-0045 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0045
2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-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

D698-0045

Molecular Formula

C14H17N3O5S (C14 H17 N3 O5 S)

Compound Name

2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

2-hydroxy-4-methyl-6-oxo-N-[4-(propan-2-yloxy)phenyl]-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(C)Oc(cc1)ccc1NS(C(C(N1)=O)=C(C)N=C1O)(=O)=O

InChI

InChI=1S/C14H17N3O5S/c1-8(2)22-11-6-4-10(5-7-11)17-23(20,21)12-9(3)15-14(19)16-13(12)18/h4-8,17H,1-3H3,(H2,15,16,18,19)

InChI Key

KWDFVZAUSJRSSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.695

Distribution Coefficient, logD

-6.233

Water Solubility, LogSw

-2.17

Polar Surface Area

99.471

Acid Dissociation Constant (pKa)

0.47

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D698-0045 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D698-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0045?
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What is the minimum amount of D698-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0045
  • 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 D698-0045 available by request