D107-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

D107-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
D107-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0082
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

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

D107-0082

Molecular Formula

C17H19FN2O3 (C17 H19 FN2 O3)

Compound Name

2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

IUPAC name

2-(4-fluorophenoxy)-N-(4567-tetrahydro-21-benzoxazol-3-yl)butanamide

SMILES

CCC(C(Nc1c(CCCC2)c2no1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C17H19FN2O3/c1-2-15(22-12-9-7-11(18)8-10-12)16(21)19-17-13-5-3-4-6-14(13)20-23-17/h7-10,15H,2-6H2,1H3,(H,19,21)/t15-/m0/s1

InChI Key

PZOKEXXQPHYOAM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08545784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.35

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

3.650

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.83

Polar Surface Area

53.511

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D107-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D107-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0082?
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What is the minimum amount of D107-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0082
  • 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 D107-0082 available by request