R052-1644 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid

R052-1644 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid
R052-1644 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1644
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic 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

R052-1644

Molecular Formula

C8H4ClN3O5S (C8 H4 ClN3 O5 S)

Compound Name

2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid

IUPAC name

2-[(7-chloro-4-nitro-213-benzoxadiazol-5-yl)sulfanyl]acetic acid

SMILES

[O-][N+](c(c1nonc1c(Cl)c1)c1SCC(O)=O)=O

InChI

InChI=1S/C8H4ClN3O5S/c9-3-1-4(18-2-5(13)14)8(12(15)16)7-6(3)10-17-11-7/h1H,2H2,(H,13,14)

InChI Key

LEIJUUNMDKBYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

-1.422

Water Solubility, LogSw

-2.61

Polar Surface Area

98.262

Acid Dissociation Constant (pKa)

3.91

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

R052-1644 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1644?
Check Price and Availability of R052-1644, 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 R052-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1644
  • 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 R052-1644 available by request