R152-0801 Screening compound: 4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

R152-0801 Screening compound: 4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
R152-0801 Screening compound: 4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-0801
4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic 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

R152-0801

Molecular Formula

C17H15FN2O6S (C17 H15 FN2 O6 S)

Compound Name

4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

IUPAC name

4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

SMILES

[O-][N+](c(cc(cc1)C(O)=O)c1NC(CSCc1cc(F)ccc1)C(O)=O)=O

InChI

InChI=1S/C17H15FN2O6S/c18-12-3-1-2-10(6-12)8-27-9-14(17(23)24)19-13-5-4-11(16(21)22)7-15(13)20(25)26/h1-7,14,19H,8-9H2,(H,21,22)(H,23,24)/t14-/m0/s1

InChI Key

HZEKCEMPBQKDCG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02938099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

-1.386

Water Solubility, LogSw

-3.46

Polar Surface Area

99.302

Acid Dissociation Constant (pKa)

3.09

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

R152-0801 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with R152-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-0801?
Check Price and Availability of R152-0801, 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 R152-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-0801
  • 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 R152-0801 available by request