G071-0577 Screening compound: N~1~-(4-chlorobenzyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-0577 Screening compound: N~1~-(4-chlorobenzyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-0577 Screening compound: N~1~-(4-chlorobenzyl)-2-[(6-ethyl-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 G071-0577
N~1~-(4-chlorobenzyl)-2-[(6-ethyl-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

G071-0577

Molecular Formula

C21H19ClN4O3S2 (C21 H19 ClN4 O3 S2)

Compound Name

N~1~-(4-chlorobenzyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

IUPAC name

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

SMILES

CCN(c(cccc1)c1-c1c2cnc(SCC(NCc(cc3)ccc3Cl)=O)n1)S2(=O)=O

InChI

InChI=1S/C21H19ClN4O3S2/c1-2-26-17-6-4-3-5-16(17)20-18(31(26,28)29)12-24-21(25-20)30-13-19(27)23-11-14-7-9-15(22)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,23,27)

InChI Key

MLWJXVOWMJYPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.99

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

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.95

Polar Surface Area

73.634

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G071-0577 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G071-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0577?
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What is the minimum amount of G071-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0577
  • 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 G071-0577 available by request