1988-0478 Screening compound: butyl 4-methanesulfonamidobenzoate

1988-0478 Screening compound: butyl 4-methanesulfonamidobenzoate
1988-0478 Screening compound: butyl 4-methanesulfonamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0478
butyl 4-methanesulfonamidobenzoate

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

1988-0478

Molecular Formula

C12H17NO4S (C12 H17 NO4 S)

Compound Name

butyl 4-methanesulfonamidobenzoate

IUPAC name

butyl 4-methanesulfonamidobenzoate

SMILES

CCCCOC(c(cc1)ccc1NS(C)(=O)=O)=O

InChI

InChI=1S/C12H17NO4S/c1-3-4-9-17-12(14)10-5-7-11(8-6-10)13-18(2,15)16/h5-8,13H,3-4,9H2,1-2H3

InChI Key

BELDXYFFMZVRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.16

Polar Surface Area

63.153

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1988-0478 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1988-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0478?
Check Price and Availability of 1988-0478, 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 1988-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0478
  • 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 1988-0478 available by request