D047-0035 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid

D047-0035 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid
D047-0035 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0035
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid

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

D047-0035

Molecular Formula

C14H17NO6S (C14 H17 NO6 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1S(c(cc1)cc2c1OCCO2)(=O)=O)=O

InChI

InChI=1S/C14H17NO6S/c16-14(17)10-3-5-15(6-4-10)22(18,19)11-1-2-12-13(9-11)21-8-7-20-12/h1-2,9-10H,3-8H2,(H,16,17)

InChI Key

FIDZPYRIDZVQFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03124085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.034

Distribution Coefficient, logD

-2.594

Water Solubility, LogSw

-2.13

Polar Surface Area

76.181

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D047-0035 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D047-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0035?
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What is the minimum amount of D047-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0035
  • 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 D047-0035 available by request