G857-0005 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide

G857-0005 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
G857-0005 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0005
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-2,5,6,7-tetrahydro-1H-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

G857-0005

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

n/a

SMILES

O=C(CSC(C(CCC1)=C1N1)=NC1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H17N3O4S/c21-15(18-7-10-4-5-13-14(6-10)24-9-23-13)8-25-16-11-2-1-3-12(11)19-17(22)20-16/h4-6H,1-3,7-9H2,(H,18,21)(H,19,20,22)

InChI Key

QCBWHBNZNAMGLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.337

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-2.35

Polar Surface Area

74.344

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

G857-0005 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 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 G857-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0005?
Check Price and Availability of G857-0005, 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 G857-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0005
  • 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 G857-0005 available by request