G605-0696 Screening compound: N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

G605-0696 Screening compound: N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
G605-0696 Screening compound: N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G605-0696
N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

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

G605-0696

Molecular Formula

C24H25N3O5S2 (C24 H25 N3 O5 S2)

Compound Name

N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-acetylphenyl)-2-{[5-(4-butylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

CCCCc(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(Nc1cc(C(C)=O)ccc1)=O)(=O)=O

InChI

InChI=1S/C24H25N3O5S2/c1-3-4-6-17-9-11-20(12-10-17)34(31,32)21-14-25-24(27-23(21)30)33-15-22(29)26-19-8-5-7-18(13-19)16(2)28/h5,7-14H,3-4,6,15H2,1-2H3,(H,26,29)(H,25,27,30)

InChI Key

DODGFRZQPGWCEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-3.85

Polar Surface Area

100.967

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G605-0696 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G605-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G605-0696?
Check Price and Availability of G605-0696, 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 G605-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G605-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G605-0696
  • 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 G605-0696 available by request