D347-1838 Screening compound: 5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazole

D347-1838 Screening compound: 5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazole
D347-1838 Screening compound: 5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1838
5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-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

D347-1838

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazole

IUPAC name

5-chloro-2-(1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-13-benzodiazole

SMILES

CC(c1nc(cc(cc2)Cl)c2[nH]1)Oc(ccc(/C=C/C)c1)c1OC

InChI

InChI=1S/C19H19ClN2O2/c1-4-5-13-6-9-17(18(10-13)23-3)24-12(2)19-21-15-8-7-14(20)11-16(15)22-19/h4-12H,1-3H3,(H,21,22)/t12-/m0/s1

InChI Key

VHKIPRXSXCHCQZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14821133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-6.24

Polar Surface Area

33.764

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D347-1838 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D347-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1838?
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What is the minimum amount of D347-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1838
  • 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 D347-1838 available by request