G857-0140 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(dimethylamino)ethyl]-2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

G857-0140 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(dimethylamino)ethyl]-2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide
G857-0140 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(dimethylamino)ethyl]-2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0140
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(dimethylamino)ethyl]-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

G857-0140

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({1-[2-(dimethylamino)ethyl]-2-oxo-1H2H5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

CN(C)CCN(C(CCC1)=C1C(SCC(Nc(cc1)cc2c1OCO2)=O)=N1)C1=O

InChI

InChI=1S/C20H24N4O4S/c1-23(2)8-9-24-15-5-3-4-14(15)19(22-20(24)26)29-11-18(25)21-13-6-7-16-17(10-13)28-12-27-16/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,25)

InChI Key

KCWHASFBWJDAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07650049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.959

Distribution Coefficient, logD

0.457

Water Solubility, LogSw

-2.80

Polar Surface Area

68.866

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G857-0140 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G857-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0140?
Check Price and Availability of G857-0140, 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 G857-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0140
  • 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 G857-0140 available by request