0133-0029 Screening compound: (1-ethyl-2-methyl-1H-1,3-benzodiazol-5-yl)methanol

0133-0029 Screening compound: (1-ethyl-2-methyl-1H-1,3-benzodiazol-5-yl)methanol
0133-0029 Screening compound: (1-ethyl-2-methyl-1H-1,3-benzodiazol-5-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0029
(1-ethyl-2-methyl-1H-1,3-benzodiazol-5-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

0133-0029

Molecular Formula

C11H14N2O (C11 H14 N2 O)

Compound Name

(1-ethyl-2-methyl-1H-1,3-benzodiazol-5-yl)methanol

IUPAC name

(1-ethyl-2-methyl-1H-13-benzodiazol-5-yl)methanol

SMILES

CCn1c(ccc(CO)c2)c2nc1C

InChI

InChI=1S/C11H14N2O/c1-3-13-8(2)12-10-6-9(7-14)4-5-11(10)13/h4-6,14H,3,7H2,1-2H3

InChI Key

AURXLGNFHFHPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.345

Distribution Coefficient, logD

1.327

Water Solubility, LogSw

-1.07

Polar Surface Area

28.056

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0133-0029 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 0133-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0029?
Check Price and Availability of 0133-0029, 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 0133-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0029
  • 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 0133-0029 available by request