G071-0074 Screening compound: methyl 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate

G071-0074 Screening compound: methyl 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate
G071-0074 Screening compound: methyl 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0074
methyl 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate

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

G071-0074

Molecular Formula

C20H17N3O4S2 (C20 H17 N3 O4 S2)

Compound Name

methyl 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-({9-benzyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetate

SMILES

COC(CSc(nc1)nc(-c(cccc2)c2N2Cc3ccccc3)c1S2(=O)=O)=O

InChI

InChI=1S/C20H17N3O4S2/c1-27-18(24)13-28-20-21-11-17-19(22-20)15-9-5-6-10-16(15)23(29(17,25)26)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3

InChI Key

BKAQOORLBSCUFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.55

Polar Surface Area

70.017

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G071-0074 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G071-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0074?
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What is the minimum amount of G071-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0074
  • 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 G071-0074 available by request