1496-0041 Screening compound: 2-(2-hydroxyethoxy)-2-(4-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol

1496-0041 Screening compound: 2-(2-hydroxyethoxy)-2-(4-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol
1496-0041 Screening compound: 2-(2-hydroxyethoxy)-2-(4-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1496-0041
2-(2-hydroxyethoxy)-2-(4-nitro-1H-1,2,3-benzotriazol-1-yl)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

1496-0041

Molecular Formula

C10H12N4O5 (C10 H12 N4 O5)

Compound Name

2-(2-hydroxyethoxy)-2-(4-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol

IUPAC name

2-(2-hydroxyethoxy)-2-(4-nitro-1H-123-benzotriazol-1-yl)ethan-1-ol

SMILES

[O-][N+](c1c2nnn(C(CO)OCCO)c2ccc1)=O

InChI

InChI=1S/C10H12N4O5/c15-4-5-19-9(6-16)13-7-2-1-3-8(14(17)18)10(7)11-12-13/h1-3,9,15-16H,4-6H2/t9-/m0/s1

InChI Key

BKAOAKGMRCOOOR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00195436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.725

Distribution Coefficient, logD

-0.725

Water Solubility, LogSw

-1.32

Polar Surface Area

99.339

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

1496-0041 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1496-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1496-0041?
Check Price and Availability of 1496-0041, 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 1496-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1496-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1496-0041
  • 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 1496-0041 available by request