D100-0009 Screening compound: N-(1,2-benzoxazol-3-yl)-3,5-dimethoxybenzamide

D100-0009 Screening compound: N-(1,2-benzoxazol-3-yl)-3,5-dimethoxybenzamide
D100-0009 Screening compound: N-(1,2-benzoxazol-3-yl)-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D100-0009
N-(1,2-benzoxazol-3-yl)-3,5-dimethoxybenzamide

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

D100-0009

Molecular Formula

C16H14N2O4 (C16 H14 N2 O4)

Compound Name

N-(1,2-benzoxazol-3-yl)-3,5-dimethoxybenzamide

IUPAC name

N-(12-benzoxazol-3-yl)-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc2noc3c2cccc3)=O)cc(OC)c1

InChI

InChI=1S/C16H14N2O4/c1-20-11-7-10(8-12(9-11)21-2)16(19)17-15-13-5-3-4-6-14(13)22-18-15/h3-9H,1-2H3,(H,17,18,19)

InChI Key

XGBDNBDHXBJWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.81

Polar Surface Area

60.486

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D100-0009 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D100-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D100-0009?
Check Price and Availability of D100-0009, 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 D100-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D100-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D100-0009
  • 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 D100-0009 available by request