D668-0389 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-1,6-dihydropyrimidine-5-sulfonamide

D668-0389 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-1,6-dihydropyrimidine-5-sulfonamide
D668-0389 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0389
2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-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

D668-0389

Molecular Formula

C16H20N4O6S2 (C16 H20 N4 O6 S2)

Compound Name

2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

2-hydroxy-4-methyl-6-oxo-N-{[4-(pyrrolidine-1-sulfonyl)phenyl]methyl}-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(N=C(NC1=O)O)=C1S(NCc(cc1)ccc1S(N1CCCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C16H20N4O6S2/c1-11-14(15(21)19-16(22)18-11)27(23,24)17-10-12-4-6-13(7-5-12)28(25,26)20-8-2-3-9-20/h4-7,17H,2-3,8-10H2,1H3,(H2,18,19,21,22)

InChI Key

LHKYKFQOIWBPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.488

Distribution Coefficient, logD

-7.125

Water Solubility, LogSw

-2.10

Polar Surface Area

125.854

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D668-0389 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 D668-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0389?
Check Price and Availability of D668-0389, 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 D668-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0389
  • 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 D668-0389 available by request