D107-0042 Screening compound: 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

D107-0042 Screening compound: 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
D107-0042 Screening compound: 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0042
2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

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

D107-0042

Molecular Formula

C15H15ClN2O3 (C15 H15 ClN2 O3)

Compound Name

2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

IUPAC name

2-(2-chlorophenoxy)-N-(4567-tetrahydro-21-benzoxazol-3-yl)acetamide

SMILES

O=C(COc(cccc1)c1Cl)Nc1c(CCCC2)c2no1

InChI

InChI=1S/C15H15ClN2O3/c16-11-6-2-4-8-13(11)20-9-14(19)17-15-10-5-1-3-7-12(10)18-21-15/h2,4,6,8H,1,3,5,7,9H2,(H,17,19)

InChI Key

UMCBFCMNMQGPEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.75

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

3.125

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.42

Polar Surface Area

54.211

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D107-0042 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D107-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0042?
Check Price and Availability of D107-0042, 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 D107-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0042
  • 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 D107-0042 available by request