D670-0117 Screening compound: 5,7-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D670-0117 Screening compound: 5,7-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D670-0117 Screening compound: 5,7-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0117
5,7-dimethyl-2-{[4-(propan-2-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

D670-0117

Molecular Formula

C19H22N2O (C19 H22 N2 O)

Compound Name

5,7-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

57-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CC(C)c(cc1)ccc1OCc1nc(cc(C)cc2C)c2[nH]1

InChI

InChI=1S/C19H22N2O/c1-12(2)15-5-7-16(8-6-15)22-11-18-20-17-10-13(3)9-14(4)19(17)21-18/h5-10,12H,11H2,1-4H3,(H,20,21)

InChI Key

YTROOUYZJLWRNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-5.51

Polar Surface Area

28.518

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D670-0117 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with D670-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0117?
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What is the minimum amount of D670-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0117
  • 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 D670-0117 available by request