D670-0135 Screening compound: 5,6-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D670-0135 Screening compound: 5,6-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D670-0135 Screening compound: 5,6-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0135
5,6-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-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

D670-0135

Molecular Formula

C18H16Cl2N2O2 (C18 H16 Cl2 N2 O2)

Compound Name

5,6-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

56-dichloro-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

COc(cc(CC=C)cc1)c1OCc([nH]c1c2)nc1cc(Cl)c2Cl

InChI

InChI=1S/C18H16Cl2N2O2/c1-3-4-11-5-6-16(17(7-11)23-2)24-10-18-21-14-8-12(19)13(20)9-15(14)22-18/h3,5-9H,1,4,10H2,2H3,(H,21,22)

InChI Key

MDXNYTCPWWRKAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.93

Polar Surface Area

35.465

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D670-0135 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D670-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0135?
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What is the minimum amount of D670-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0135
  • 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 D670-0135 available by request