G857-0991 Screening compound: ethyl 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)butanoate

G857-0991 Screening compound: ethyl 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)butanoate
G857-0991 Screening compound: ethyl 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0991
ethyl 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)butanoate

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

G857-0991

Molecular Formula

C17H23N3O4S (C17 H23 N3 O4 S)

Compound Name

ethyl 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)butanoate

IUPAC name

ethyl 2-({6-ethyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)butanoate

SMILES

CCC(C(OCC)=O)Sc(c(CC)cnc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C17H23N3O4S/c1-6-10-9-18-14-12(15(21)20(5)17(23)19(14)4)13(10)25-11(7-2)16(22)24-8-3/h9,11H,6-8H2,1-5H3/t11-/m0/s1

InChI Key

HPMHPPWQELRWML-NSHDSACASA-N

MDL Number (MFCD)

MFCD07654427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.50

Polar Surface Area

62.515

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

G857-0991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G857-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0991?
Check Price and Availability of G857-0991, 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 G857-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0991
  • 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 G857-0991 available by request