8016-8113 Screening compound: 3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic acid

8016-8113 Screening compound: 3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic acid
8016-8113 Screening compound: 3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8113
3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic 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

8016-8113

Molecular Formula

C18H20BrNO5S (C18 H20 BrNO5 S)

Compound Name

3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic acid

IUPAC name

3-(4-bromobenzenesulfonamido)-3-(4-propoxyphenyl)propanoic acid

SMILES

CCCOc1ccc(C(CC(O)=O)NS(c(cc2)ccc2Br)(=O)=O)cc1

InChI

InChI=1S/C18H20BrNO5S/c1-2-11-25-15-7-3-13(4-8-15)17(12-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,17,20H,2,11-12H2,1H3,(H,21,22)/t17-/m0/s1

InChI Key

WIPYLOAVCGRUGD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05859392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-4.17

Polar Surface Area

77.642

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

8016-8113 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8016-8113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8113?
Check Price and Availability of 8016-8113, 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 8016-8113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8113
  • 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 8016-8113 available by request