G857-0961 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

G857-0961 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
G857-0961 Screening compound: 2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0961
2-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-nitrophenyl)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

G857-0961

Molecular Formula

C19H19N5O5S (C19 H19 N5 O5 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-(4-nitrophenyl)acetamide

IUPAC name

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

SMILES

CCc(c(SCC(Nc(cc1)ccc1[N+]([O-])=O)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H19N5O5S/c1-4-11-9-20-17-15(18(26)23(3)19(27)22(17)2)16(11)30-10-14(25)21-12-5-7-13(8-6-12)24(28)29/h5-9H,4,10H2,1-3H3,(H,21,25)

InChI Key

VEUDMJHUGPRPCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.46

Polar Surface Area

98.021

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G857-0961 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 G857-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0961?
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What is the minimum amount of G857-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0961
  • 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 G857-0961 available by request