1494-0377 Screening compound: dimethyl 5-[4-(dimethylamino)phenyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate

1494-0377 Screening compound: dimethyl 5-[4-(dimethylamino)phenyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate
1494-0377 Screening compound: dimethyl 5-[4-(dimethylamino)phenyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1494-0377
dimethyl 5-[4-(dimethylamino)phenyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-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

1494-0377

Molecular Formula

C16H21NO8S2 (C16 H21 NO8 S2)

Compound Name

dimethyl 5-[4-(dimethylamino)phenyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate

IUPAC name

46-dimethyl 5-[4-(dimethylamino)phenyl]-1133-tetraoxo-1lambda63lambda6-dithiane-46-dicarboxylate

SMILES

CN(C)c1ccc(C(C(C(OC)=O)S(C2)(=O)=O)C(C(OC)=O)S2(=O)=O)cc1

InChI

InChI=1S/C16H21NO8S2/c1-17(2)11-7-5-10(6-8-11)12-13(15(18)24-3)26(20,21)9-27(22,23)14(12)16(19)25-4/h5-8,12-14H,9H2,1-4H3

InChI Key

FGDWWVOFLSXSRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00182711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.599

Water Solubility, LogSw

-2.00

Polar Surface Area

102.363

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

1494-0377 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 1494-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1494-0377?
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What is the minimum amount of 1494-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1494-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1494-0377
  • 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 1494-0377 available by request