G721-0537 Screening compound: 6-(methoxymethyl)-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0537 Screening compound: 6-(methoxymethyl)-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0537 Screening compound: 6-(methoxymethyl)-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0537
6-(methoxymethyl)-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

G721-0537

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

6-(methoxymethyl)-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

6-(methoxymethyl)-13-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CN(c1ncc(COC)c(SCc(cc2)ccc2[N+]([O-])=O)c1C(N1C)=O)C1=O

InChI

InChI=1S/C18H18N4O5S/c1-20-16-14(17(23)21(2)18(20)24)15(12(8-19-16)9-27-3)28-10-11-4-6-13(7-5-11)22(25)26/h4-8H,9-10H2,1-3H3

InChI Key

GWRCJYKAFARRCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.48

Polar Surface Area

83.296

Acid Dissociation Constant (pKa)

25.00

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G721-0537 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 G721-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G721-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0537
  • 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 G721-0537 available by request