2783-5054 Screening compound: 4-chloro-N~1~-dibenzo[b,d]furan-3-yl-3-nitrobenzamide

2783-5054 Screening compound: 4-chloro-N~1~-dibenzo[b,d]furan-3-yl-3-nitrobenzamide
2783-5054 Screening compound: 4-chloro-N~1~-dibenzo[b,d]furan-3-yl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5054
4-chloro-N~1~-dibenzo[b,d]furan-3-yl-3-nitrobenzamide

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

2783-5054

Molecular Formula

C19H11ClN2O4 (C19 H11 ClN2 O4)

Compound Name

4-chloro-N~1~-dibenzo[b,d]furan-3-yl-3-nitrobenzamide

IUPAC name

4-chloro-3-nitro-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc(cc2)cc3c2c(cccc2)c2o3)=O)c1Cl)=O

InChI

InChI=1S/C19H11ClN2O4/c20-15-8-5-11(9-16(15)22(24)25)19(23)21-12-6-7-14-13-3-1-2-4-17(13)26-18(14)10-12/h1-10H,(H,21,23)

InChI Key

XCMHUGFIAUOUDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.371

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-6.23

Polar Surface Area

64.325

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2783-5054 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 2783-5054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5054?
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What is the minimum amount of 2783-5054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5054
  • 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 2783-5054 available by request