G857-0982 Screening compound: 6-ethyl-1,3-dimethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G857-0982 Screening compound: 6-ethyl-1,3-dimethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G857-0982 Screening compound: 6-ethyl-1,3-dimethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0982
6-ethyl-1,3-dimethyl-5-({[3-(trifluoromethyl)phenyl]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

G857-0982

Molecular Formula

C19H18F3N3O2S (C19 H18 F3 N3 O2 S)

Compound Name

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

IUPAC name

6-ethyl-13-dimethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCc(c(SCc1cc(C(F)(F)F)ccc1)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H18F3N3O2S/c1-4-12-9-23-16-14(17(26)25(3)18(27)24(16)2)15(12)28-10-11-6-5-7-13(8-11)19(20,21)22/h5-9H,4,10H2,1-3H3

InChI Key

NRZCQZPTNJORBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.35

Polar Surface Area

41.490

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G857-0982 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 G857-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G857-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0982
  • 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 G857-0982 available by request