R052-1862 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol

R052-1862 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
R052-1862 Screening compound: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1862
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol

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

R052-1862

Molecular Formula

C9H9ClN4O4 (C9 H9 ClN4 O4)

Compound Name

2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol

IUPAC name

2-[(7-chloro-4-nitro-213-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol

SMILES

CN(CCO)c(cc(c1nonc11)Cl)c1[N+]([O-])=O

InChI

InChI=1S/C9H9ClN4O4/c1-13(2-3-15)6-4-5(10)7-8(12-18-11-7)9(6)14(16)17/h4,15H,2-3H2,1H3

InChI Key

RGJBQHGWILSDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.58

Polar Surface Area

89.438

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

R052-1862 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R052-1862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1862?
Check Price and Availability of R052-1862, 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 R052-1862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1862
  • 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 R052-1862 available by request