D107-1001 Screening compound: 4-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

D107-1001 Screening compound: 4-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
D107-1001 Screening compound: 4-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1001
4-methyl-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

D107-1001

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1Cc2c(NC(c3ccc(C)cc3)=O)onc2CC1

InChI

InChI=1S/C16H18N2O2/c1-10-3-6-12(7-4-10)15(19)17-16-13-9-11(2)5-8-14(13)18-20-16/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,17,19)/t11-/m1/s1

InChI Key

FDMIURJGEKETTM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08545761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.61

Polar Surface Area

46.839

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D107-1001 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D107-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1001?
Check Price and Availability of D107-1001, 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 D107-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1001
  • 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 D107-1001 available by request