D011-2210 Screening compound: 3-{[4-(benzyloxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

D011-2210 Screening compound: 3-{[4-(benzyloxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one
D011-2210 Screening compound: 3-{[4-(benzyloxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2210
3-{[4-(benzyloxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

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

D011-2210

Molecular Formula

C21H17NO3 (C21 H17 NO3)

Compound Name

3-{[4-(benzyloxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-{[4-(benzyloxy)phenyl]methyl}-23-dihydro-13-benzoxazol-2-one

SMILES

O=C1Oc(cccc2)c2N1Cc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C21H17NO3/c23-21-22(19-8-4-5-9-20(19)25-21)14-16-10-12-18(13-11-16)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2

InChI Key

SCNFJOLAYXICAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.80

Polar Surface Area

30.295

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D011-2210 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-2210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2210?
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What is the minimum amount of D011-2210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2210
  • 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 D011-2210 available by request