G195-0827 Screening compound: 1-(4-bromophenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0827 Screening compound: 1-(4-bromophenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0827 Screening compound: 1-(4-bromophenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0827
1-(4-bromophenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

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

G195-0827

Molecular Formula

C21H19BrN2O2S (C21 H19 BrN2 O2 S)

Compound Name

1-(4-bromophenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

IUPAC name

1-(4-bromophenyl)-3-{[1-(34-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

CC(C(c1cc(C)c(C)cc1)=O)SC1=NC=CN(c(cc2)ccc2Br)C1=O

InChI

InChI=1S/C21H19BrN2O2S/c1-13-4-5-16(12-14(13)2)19(25)15(3)27-20-21(26)24(11-10-23-20)18-8-6-17(22)7-9-18/h4-12,15H,1-3H3/t15-/m0/s1

InChI Key

OIXMEIQDVOPHPR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14984155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.67

Polar Surface Area

37.381

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

G195-0827 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G195-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0827?
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What is the minimum amount of G195-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0827
  • 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 G195-0827 available by request