D347-1848 Screening compound: 5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazole

D347-1848 Screening compound: 5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazole
D347-1848 Screening compound: 5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1848
5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazole

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

D347-1848

Molecular Formula

C18H17ClN2O (C18 H17 ClN2 O)

Compound Name

5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazole

IUPAC name

5-chloro-2-{1-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-13-benzodiazole

SMILES

CC(c1nc(cc(cc2)Cl)c2[nH]1)Oc1c(CC=C)cccc1

InChI

InChI=1S/C18H17ClN2O/c1-3-6-13-7-4-5-8-17(13)22-12(2)18-20-15-10-9-14(19)11-16(15)21-18/h3-5,7-12H,1,6H2,2H3,(H,20,21)/t12-/m0/s1

InChI Key

XQUDRVNKBLVZJM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14821138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.92

Polar Surface Area

26.134

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D347-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1848?
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What is the minimum amount of D347-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1848
  • 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 D347-1848 available by request