G071-0399 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0399 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0399 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[6-(2-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 G071-0399
N~1~-(3-fluoro-4-methylphenyl)-2-{[6-(2-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

G071-0399

Molecular Formula

C27H23FN4O3S2 (C27 H23 FN4 O3 S2)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-({9-[(2-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

Cc1c(CN(c(cccc2)c2-c2c3cnc(SCC(Nc4cc(F)c(C)cc4)=O)n2)S3(=O)=O)cccc1

InChI

InChI=1S/C27H23FN4O3S2/c1-17-7-3-4-8-19(17)15-32-23-10-6-5-9-21(23)26-24(37(32,34)35)14-29-27(31-26)36-16-25(33)30-20-12-11-18(2)22(28)13-20/h3-14H,15-16H2,1-2H3,(H,30,33)

InChI Key

MRDJHHZFUSJKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.800

Distribution Coefficient, logD

5.800

Water Solubility, LogSw

-5.37

Polar Surface Area

72.316

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-0399 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 G071-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0399?
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What is the minimum amount of G071-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0399
  • 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 G071-0399 available by request