D107-0005 Screening compound: 4-tert-butyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

D107-0005 Screening compound: 4-tert-butyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
D107-0005 Screening compound: 4-tert-butyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0005
4-tert-butyl-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

D107-0005

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

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

IUPAC name

4-tert-butyl-N-(4567-tetrahydro-21-benzoxazol-3-yl)benzamide

SMILES

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

InChI

InChI=1S/C18H22N2O2/c1-18(2,3)13-10-8-12(9-11-13)16(21)19-17-14-6-4-5-7-15(14)20-22-17/h8-11H,4-7H2,1-3H3,(H,19,21)

InChI Key

DSKNDVSZVLTKTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.23

Polar Surface Area

46.839

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D107-0005 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 D107-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0005?
Check Price and Availability of D107-0005, 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 D107-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0005
  • 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 D107-0005 available by request