G857-1002 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-methyl-N-phenylacetamide

G857-1002 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-methyl-N-phenylacetamide
G857-1002 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1002
2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-methyl-N-phenylacetamide

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

G857-1002

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(SCC(N(C)c1ccccc1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C20H22N4O3S/c1-5-13-11-21-18-16(19(26)24(4)20(27)23(18)3)17(13)28-12-15(25)22(2)14-9-7-6-8-10-14/h6-11H,5,12H2,1-4H3

InChI Key

STADAOUSWHUYIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.33

Polar Surface Area

56.603

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G857-1002 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1002?
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What is the minimum amount of G857-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1002
  • 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 G857-1002 available by request