G857-0016 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

G857-0016 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide
G857-0016 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0016
N-(6-methyl-1,3-benzothiazol-2-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-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

G857-0016

Molecular Formula

C17H16N4O2S2 (C17 H16 N4 O2 S2)

Compound Name

N-(6-methyl-1,3-benzothiazol-2-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-2-({2-oxo-1H2H5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc(cc1)cc2c1nc(NC(CSC(C(CCC1)=C1N1)=NC1=O)=O)s2

InChI

InChI=1S/C17H16N4O2S2/c1-9-5-6-12-13(7-9)25-17(19-12)20-14(22)8-24-15-10-3-2-4-11(10)18-16(23)21-15/h5-7H,2-4,8H2,1H3,(H,18,21,23)(H,19,20,22)

InChI Key

FHNSLGHJRGVJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.25

Polar Surface Area

65.668

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G857-0016 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 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 G857-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0016?
Check Price and Availability of G857-0016, 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 G857-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0016
  • 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 G857-0016 available by request