G071-0898 Screening compound: ethyl 4-({2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

G071-0898 Screening compound: ethyl 4-({2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate
G071-0898 Screening compound: ethyl 4-({2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0898
ethyl 4-({2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

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

G071-0898

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

ethyl 4-({2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

IUPAC name

ethyl 4-[2-({913-dimethyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc(nc1)nc(-c(cc(C)cc2)c2N2C)c1S2(=O)=O)=O)=O

InChI

InChI=1S/C23H22N4O5S2/c1-4-32-22(29)15-6-8-16(9-7-15)25-20(28)13-33-23-24-12-19-21(26-23)17-11-14(2)5-10-18(17)27(3)34(19,30)31/h5-12H,4,13H2,1-3H3,(H,25,28)

InChI Key

JHKWDGFZOFARAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.14

Polar Surface Area

94.346

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G071-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G071-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0898
  • 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 G071-0898 available by request