G857-0933 Screening compound: 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-ethyl-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G857-0933 Screening compound: 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-ethyl-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G857-0933 Screening compound: 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-ethyl-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0933
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-ethyl-1,3-dimethyl-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

G857-0933

Molecular Formula

C19H26N4O3S (C19 H26 N4 O3 S)

Compound Name

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

IUPAC name

5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-ethyl-13-dimethyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCc(c(SCC(N1CCCCCC1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H26N4O3S/c1-4-13-11-20-17-15(18(25)22(3)19(26)21(17)2)16(13)27-12-14(24)23-9-7-5-6-8-10-23/h11H,4-10,12H2,1-3H3

InChI Key

XRGDILZMYDGPHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-2.82

Polar Surface Area

58.214

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

G857-0933 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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 G857-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0933?
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What is the minimum amount of G857-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0933
  • 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 G857-0933 available by request