D668-0352 Screening compound: 2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0352 Screening compound: 2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0352 Screening compound: 2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0352
2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-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

D668-0352

Molecular Formula

C11H15N5O4S (C11 H15 N5 O4 S)

Compound Name

2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

2-hydroxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(N=C(NC1=O)O)=C1S(NCCCn1cncc1)(=O)=O

InChI

InChI=1S/C11H15N5O4S/c1-8-9(10(17)15-11(18)14-8)21(19,20)13-3-2-5-16-6-4-12-7-16/h4,6-7,13H,2-3,5H2,1H3,(H2,14,15,17,18)

InChI Key

PKIMJCBHKMFGEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.860

Distribution Coefficient, logD

-8.497

Water Solubility, LogSw

-1.66

Polar Surface Area

106.419

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D668-0352 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D668-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0352?
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What is the minimum amount of D668-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0352
  • 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 D668-0352 available by request