G857-0962 Screening compound: methyl 4-[2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

G857-0962 Screening compound: methyl 4-[2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
G857-0962 Screening compound: methyl 4-[2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0962
methyl 4-[2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

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

G857-0962

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

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

IUPAC name

methyl 4-[2-({6-ethyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

SMILES

CCc(c(SCC(Nc(cc1)ccc1C(OC)=O)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C21H22N4O5S/c1-5-12-10-22-18-16(19(27)25(3)21(29)24(18)2)17(12)31-11-15(26)23-14-8-6-13(7-9-14)20(28)30-4/h6-10H,5,11H2,1-4H3,(H,23,26)

InChI Key

UHHFETNNRVAQJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.43

Polar Surface Area

85.813

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G857-0962 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0962?
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What is the minimum amount of G857-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0962
  • 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 G857-0962 available by request