3109-1775 Screening compound: N-{4-[5-(1,3-benzoxazol-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-4-nitrobenzamide

3109-1775 Screening compound: N-{4-[5-(1,3-benzoxazol-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-4-nitrobenzamide
3109-1775 Screening compound: N-{4-[5-(1,3-benzoxazol-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3109-1775
N-{4-[5-(1,3-benzoxazol-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-4-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

3109-1775

Molecular Formula

C27H17N5O4 (C27 H17 N5 O4)

Compound Name

N-{4-[5-(1,3-benzoxazol-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-4-nitrobenzamide

IUPAC name

N-{4-[5-(13-benzoxazol-2-yl)-1H-13-benzodiazol-2-yl]phenyl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cc(cc2)-c3nc(cccc4)c4o3)c2[nH]1)=O)=O

InChI

InChI=1S/C27H17N5O4/c33-26(17-7-12-20(13-8-17)32(34)35)28-19-10-5-16(6-11-19)25-29-21-14-9-18(15-23(21)30-25)27-31-22-3-1-2-4-24(22)36-27/h1-15H,(H,28,33)(H,29,30)

InChI Key

GLXBFPCFOJUPEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

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

5.877

Distribution Coefficient, logD

5.877

Water Solubility, LogSw

-6.02

Polar Surface Area

92.541

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3109-1775 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3109-1775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3109-1775?
Check Price and Availability of 3109-1775, 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 3109-1775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3109-1775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3109-1775
  • 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 3109-1775 available by request