D107-1060 Screening compound: 3-ethoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

D107-1060 Screening compound: 3-ethoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
D107-1060 Screening compound: 3-ethoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1060
3-ethoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)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

D107-1060

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

3-ethoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

IUPAC name

3-ethoxy-N-(5-methyl-4567-tetrahydro-21-benzoxazol-3-yl)benzamide

SMILES

CCOc1cccc(C(Nc2c(CC(C)CC3)c3no2)=O)c1

InChI

InChI=1S/C17H20N2O3/c1-3-21-13-6-4-5-12(10-13)16(20)18-17-14-9-11(2)7-8-15(14)19-22-17/h4-6,10-11H,3,7-9H2,1-2H3,(H,18,20)/t11-/m1/s1

InChI Key

BDRANEFLPJXIJK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08544785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.80

Polar Surface Area

53.962

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D107-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1060?
Check Price and Availability of D107-1060, 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 D107-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1060
  • 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 D107-1060 available by request