D107-0055 Screening compound: 4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

D107-0055 Screening compound: 4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
D107-0055 Screening compound: 4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0055
4-(2-methylpropoxy)-N-(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

D107-0055

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

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

IUPAC name

4-(2-methylpropoxy)-N-(4567-tetrahydro-21-benzoxazol-3-yl)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc1c(CCCC2)c2no1)=O

InChI

InChI=1S/C18H22N2O3/c1-12(2)11-22-14-9-7-13(8-10-14)17(21)19-18-15-5-3-4-6-16(15)20-23-18/h7-10,12H,3-6,11H2,1-2H3,(H,19,21)

InChI Key

GXESBRNWHLSQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.15

Polar Surface Area

54.338

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D107-0055 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D107-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0055?
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What is the minimum amount of D107-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0055
  • 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 D107-0055 available by request