3226-1011 Screening compound: 4-NITRO-N-[3-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]BENZAMIDE

3226-1011 Screening compound: 4-NITRO-N-[3-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]BENZAMIDE
3226-1011 Screening compound: 4-NITRO-N-[3-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-1011
4-NITRO-N-[3-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]BENZAMIDE

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

3226-1011

Molecular Formula

C21H13N3O5 (C21 H13 N3 O5)

Compound Name

4-NITRO-N-[3-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]BENZAMIDE

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cc(C(O2)=Nc(cccc3)c3C2=O)ccc1)=O)=O

InChI

InChI=1S/C21H13N3O5/c25-19(13-8-10-16(11-9-13)24(27)28)22-15-5-3-4-14(12-15)20-23-18-7-2-1-6-17(18)21(26)29-20/h1-12H,(H,22,25)

InChI Key

OWNJWJIDPIRRPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.26

Polar Surface Area

86.658

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3226-1011 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3226-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-1011?
Check Price and Availability of 3226-1011, 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 3226-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-1011
  • 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 3226-1011 available by request