G071-1335 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-1335 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-1335 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[(6-benzyl-9-chloro-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 G071-1335
N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[(6-benzyl-9-chloro-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

G071-1335

Molecular Formula

C27H21ClN4O5S2 (C27 H21 ClN4 O5 S2)

Compound Name

N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({9-benzyl-13-chloro-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc(nc1-c(cc(cc2)Cl)c2N2Cc3ccccc3)ncc1S2(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H21ClN4O5S2/c28-19-7-8-21-20(11-19)26-24(39(34,35)32(21)14-17-4-2-1-3-5-17)13-30-27(31-26)38-15-25(33)29-12-18-6-9-22-23(10-18)37-16-36-22/h1-11,13H,12,14-16H2,(H,29,33)

InChI Key

ZJGBYOKNZWMOIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.07

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.97

Polar Surface Area

90.753

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-1335 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

RNA-Protein Interaction Inhibitors Library (1986 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 G071-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G071-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1335
  • 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 G071-1335 available by request