8015-4995 Screening compound: 4-(4-bromobenzenesulfonamido)-3-phenylbutanoic acid

8015-4995 Screening compound: 4-(4-bromobenzenesulfonamido)-3-phenylbutanoic acid
8015-4995 Screening compound: 4-(4-bromobenzenesulfonamido)-3-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4995
4-(4-bromobenzenesulfonamido)-3-phenylbutanoic 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

8015-4995

Molecular Formula

C16H16BrNO4S (C16 H16 BrNO4 S)

Compound Name

4-(4-bromobenzenesulfonamido)-3-phenylbutanoic acid

IUPAC name

4-(4-bromobenzenesulfonamido)-3-phenylbutanoic acid

SMILES

OC(CC(CNS(c(cc1)ccc1Br)(=O)=O)c1ccccc1)=O

InChI

InChI=1S/C16H16BrNO4S/c17-14-6-8-15(9-7-14)23(21,22)18-11-13(10-16(19)20)12-4-2-1-3-5-12/h1-9,13,18H,10-11H2,(H,19,20)/t13-/m0/s1

InChI Key

ZMXUOCDIQZRGHI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04061833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-3.29

Polar Surface Area

70.381

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8015-4995 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8015-4995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4995?
Check Price and Availability of 8015-4995, 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 8015-4995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4995
  • 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 8015-4995 available by request