D012-0099 Screening compound: 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic acid

D012-0099 Screening compound: 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic acid
D012-0099 Screening compound: 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0099
4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic 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

D012-0099

Molecular Formula

C13H17NO5S (C13 H17 NO5 S)

Compound Name

4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic acid

IUPAC name

4-[(26-dimethylmorpholin-4-yl)sulfonyl]benzoic acid

SMILES

CC(C1)OC(C)CN1S(c(cc1)ccc1C(O)=O)(=O)=O

InChI

InChI=1S/C13H17NO5S/c1-9-7-14(8-10(2)19-9)20(17,18)12-5-3-11(4-6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)

InChI Key

KUPQRFNEGVYXAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02705286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

-1.499

Water Solubility, LogSw

-2.34

Polar Surface Area

67.290

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

D012-0099 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D012-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0099?
Check Price and Availability of D012-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D012-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0099
  • 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 D012-0099 available by request