D668-0316 Screening compound: 2-hydroxy-6-methyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one

D668-0316 Screening compound: 2-hydroxy-6-methyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one
D668-0316 Screening compound: 2-hydroxy-6-methyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0316
2-hydroxy-6-methyl-5-[(4-phenylpiperazin-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

D668-0316

Molecular Formula

C15H18N4O4S (C15 H18 N4 O4 S)

Compound Name

2-hydroxy-6-methyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-hydroxy-6-methyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-34-dihydropyrimidin-4-one

SMILES

CC(N=C(NC1=O)O)=C1S(N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C15H18N4O4S/c1-11-13(14(20)17-15(21)16-11)24(22,23)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,16,17,20,21)

InChI Key

MBCXFSWKYQOLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.086

Distribution Coefficient, logD

-6.723

Water Solubility, LogSw

-2.23

Polar Surface Area

86.990

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D668-0316 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 D668-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0316?
Check Price and Availability of D668-0316, 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 D668-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0316
  • 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 D668-0316 available by request