D341-2107 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

D341-2107 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
D341-2107 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D341-2107
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

D341-2107

Molecular Formula

C22H16N2O4 (C22 H16 N2 O4)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[4-(13-benzoxazol-2-yl)phenyl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc(cc1)ccc1-c1nc(cccc2)c2o1

InChI

InChI=1S/C22H16N2O4/c25-21(20-13-26-18-7-3-4-8-19(18)27-20)23-15-11-9-14(10-12-15)22-24-16-5-1-2-6-17(16)28-22/h1-12,20H,13H2,(H,23,25)/t20-/m0/s1

InChI Key

PKJMADBKAQYWSM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08545873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.66

Polar Surface Area

55.577

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

D341-2107 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D341-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D341-2107?
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What is the minimum amount of D341-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D341-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D341-2107
  • 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 D341-2107 available by request