5787-1453 Screening compound: 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazole

5787-1453 Screening compound: 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazole
5787-1453 Screening compound: 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5787-1453
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-{[4-(propan-2-yl)phenyl]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

5787-1453

Molecular Formula

C28H32N2O (C28 H32 N2 O)

Compound Name

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

IUPAC name

2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-{[4-(propan-2-yl)phenyl]methyl}-1H-13-benzodiazole

SMILES

CC(C)c1ccc(Cn2c(cccc3)c3nc2COc2c(C(C)C)ccc(C)c2)cc1

InChI

InChI=1S/C28H32N2O/c1-19(2)23-13-11-22(12-14-23)17-30-26-9-7-6-8-25(26)29-28(30)18-31-27-16-21(5)10-15-24(27)20(3)4/h6-16,19-20H,17-18H2,1-5H3

InChI Key

VQHSKDLTEUPAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.082

Distribution Coefficient, logD

8.082

Water Solubility, LogSw

-5.77

Polar Surface Area

18.457

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with 5787-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5787-1453?
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What is the minimum amount of 5787-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5787-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5787-1453
  • 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 5787-1453 available by request