D668-0323 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

D668-0323 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D668-0323 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0323
5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-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

D668-0323

Molecular Formula

C17H20N4O6S (C17 H20 N4 O6 S)

Compound Name

5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(NC(NC1=O)=O)=C1S(N1CCN(Cc(cc2)cc3c2OCO3)CC1)(=O)=O

InChI

InChI=1S/C17H20N4O6S/c1-11-15(16(22)19-17(23)18-11)28(24,25)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)27-10-26-13/h2-3,8H,4-7,9-10H2,1H3,(H2,18,19,22,23)

InChI Key

POVSXAAVUPZGFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.008

Distribution Coefficient, logD

-2.775

Water Solubility, LogSw

-2.59

Polar Surface Area

101.140

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

D668-0323 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 D668-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0323?
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What is the minimum amount of D668-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0323
  • 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 D668-0323 available by request