G605-0172 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

G605-0172 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
G605-0172 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G605-0172
2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]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

G605-0172

Molecular Formula

C18H16ClN3O4S3 (C18 H16 ClN3 O4 S3)

Compound Name

2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc(ccc(S(C(C(N1)=O)=CN=C1SCC(NCc1cccs1)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H16ClN3O4S3/c1-11-4-5-13(7-14(11)19)29(25,26)15-9-21-18(22-17(15)24)28-10-16(23)20-8-12-3-2-6-27-12/h2-7,9H,8,10H2,1H3,(H,20,23)(H,21,22,24)

InChI Key

KIBJWHMHSJQSID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

1.053

Water Solubility, LogSw

-3.50

Polar Surface Area

89.481

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G605-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G605-0172?
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What is the minimum amount of G605-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G605-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G605-0172
  • 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 G605-0172 available by request