G856-9992 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

G856-9992 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide
G856-9992 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-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 G856-9992
N-(2,3-dihydro-1,4-benzodioxin-6-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

G856-9992

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({2-oxo-1H2H5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSC(C(CCC1)=C1N1)=NC1=O)Nc(cc1)cc2c1OCCO2

InChI

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

InChI Key

OCOPCKWLGBQNGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649805

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.715

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-2.23

Polar Surface Area

71.730

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with G856-9992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9992?
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What is the minimum amount of G856-9992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9992
  • 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 G856-9992 available by request