G071-0303 Screening compound: N~1~-(4-methoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0303 Screening compound: N~1~-(4-methoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0303 Screening compound: N~1~-(4-methoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0303
N~1~-(4-methoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

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

G071-0303

Molecular Formula

C27H24N4O4S2 (C27 H24 N4 O4 S2)

Compound Name

N~1~-(4-methoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-methoxyphenyl)-2-({9-[(3-methylphenyl)methyl]-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

Cc1cccc(CN(c(cccc2)c2-c2c3cnc(SCC(Nc(cc4)ccc4OC)=O)n2)S3(=O)=O)c1

InChI

InChI=1S/C27H24N4O4S2/c1-18-6-5-7-19(14-18)16-31-23-9-4-3-8-22(23)26-24(37(31,33)34)15-28-27(30-26)36-17-25(32)29-20-10-12-21(35-2)13-11-20/h3-15H,16-17H2,1-2H3,(H,29,32)

InChI Key

YKJNENOOVMLVBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.54

Polar Surface Area

79.860

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-0303 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G071-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0303?
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What is the minimum amount of G071-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0303
  • 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 G071-0303 available by request