8009-9863 Screening compound: dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate

8009-9863 Screening compound: dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate
8009-9863 Screening compound: dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9863
dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate

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

8009-9863

Molecular Formula

C11H9N3O10S (C11 H9 N3 O10 S)

Compound Name

dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate

IUPAC name

23-dimethyl 46-dinitro-11-dioxo-23-dihydro-1lambda63-benzothiazole-23-dicarboxylate

SMILES

COC(C(N(C(OC)=O)c(c([N+]([O-])=O)c1)c2cc1[N+]([O-])=O)S2(=O)=O)=O

InChI

InChI=1S/C11H9N3O10S/c1-23-10(15)9-12(11(16)24-2)8-6(14(19)20)3-5(13(17)18)4-7(8)25(9,21)22/h3-4,9H,1-2H3/t9-/m0/s1

InChI Key

ACFLFOHSCOTJNS-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02110238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.27

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.771

Distribution Coefficient, logD

0.771

Water Solubility, LogSw

-1.75

Polar Surface Area

139.758

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

-16.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8009-9863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9863?
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What is the minimum amount of 8009-9863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9863
  • 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 8009-9863 available by request