G857-0985 Screening compound: 6-ethyl-1,3-dimethyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G857-0985 Screening compound: 6-ethyl-1,3-dimethyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G857-0985 Screening compound: 6-ethyl-1,3-dimethyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0985
6-ethyl-1,3-dimethyl-5-{[(naphthalen-1-yl)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

G857-0985

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

6-ethyl-13-dimethyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCc(c(SCc1cccc2ccccc12)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H21N3O2S/c1-4-14-12-23-20-18(21(26)25(3)22(27)24(20)2)19(14)28-13-16-10-7-9-15-8-5-6-11-17(15)16/h5-12H,4,13H2,1-3H3

InChI Key

GBEPJLAOEFUVNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-5.33

Polar Surface Area

41.219

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G857-0985 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G857-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0985?
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What is the minimum amount of G857-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0985
  • 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 G857-0985 available by request