D011-5394 Screening compound: (1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)methanol

D011-5394 Screening compound: (1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)methanol
D011-5394 Screening compound: (1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5394
(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)methanol

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

D011-5394

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)methanol

IUPAC name

(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-13-benzodiazol-2-yl)methanol

SMILES

CC(C)c(ccc(C)c1)c1OCCCCn1c(cccc2)c2nc1CO

InChI

InChI=1S/C22H28N2O2/c1-16(2)18-11-10-17(3)14-21(18)26-13-7-6-12-24-20-9-5-4-8-19(20)23-22(24)15-25/h4-5,8-11,14,16,25H,6-7,12-13,15H2,1-3H3

InChI Key

LMSCLALLYDIISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-4.94

Polar Surface Area

35.741

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D011-5394 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5394?
Check Price and Availability of D011-5394, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D011-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5394
  • 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 D011-5394 available by request