8020-5442 Screening compound: N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide

8020-5442 Screening compound: N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide
8020-5442 Screening compound: N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5442
N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide

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

8020-5442

Molecular Formula

C10H8ClN3O4 (C10 H8 ClN3 O4)

Compound Name

N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide

IUPAC name

N-[3-(chloromethyl)-7-nitro-12-benzoxazol-5-yl]acetamide

SMILES

CC(Nc(cc1[N+]([O-])=O)cc2c1onc2CCl)=O

InChI

InChI=1S/C10H8ClN3O4/c1-5(15)12-6-2-7-8(4-11)13-18-10(7)9(3-6)14(16)17/h2-3H,4H2,1H3,(H,12,15)

InChI Key

UKIPRRKNWCKXAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.43

Polar Surface Area

79.508

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-5442 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5442?
Check Price and Availability of 8020-5442, 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 8020-5442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5442
  • 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 8020-5442 available by request