D668-0123 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydropyrimidin-4-one

D668-0123 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydropyrimidin-4-one
D668-0123 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0123
2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydropyrimidin-4-one

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

D668-0123

Molecular Formula

C15H18N4O5S (C15 H18 N4 O5 S)

Compound Name

2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydropyrimidin-4-one

IUPAC name

2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-34-dihydropyrimidin-4-one

SMILES

COc(cccc1)c1N(CC1)CCN1S(C(C(N1)=O)=CN=C1O)(=O)=O

InChI

InChI=1S/C15H18N4O5S/c1-24-12-5-3-2-4-11(12)18-6-8-19(9-7-18)25(22,23)13-10-16-15(21)17-14(13)20/h2-5,10H,6-9H2,1H3,(H2,16,17,20,21)

InChI Key

BFJFDBDWNHKXDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.198

Distribution Coefficient, logD

-7.059

Water Solubility, LogSw

-2.21

Polar Surface Area

94.657

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D668-0123 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D668-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0123?
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What is the minimum amount of D668-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0123
  • 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 D668-0123 available by request