D347-4095 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]butan-1-ol

D347-4095 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]butan-1-ol
D347-4095 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4095
1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]butan-1-ol

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

D347-4095

Molecular Formula

C16H24N2O (C16 H24 N2 O)

Compound Name

1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]butan-1-ol

IUPAC name

1-[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl]butan-1-ol

SMILES

CCCC(c1nc(cccc2)c2n1CCC(C)C)O

InChI

InChI=1S/C16H24N2O/c1-4-7-15(19)16-17-13-8-5-6-9-14(13)18(16)11-10-12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3/t15-/m0/s1

InChI Key

JQMOLKRXCBXQDT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10555338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.05

Polar Surface Area

26.569

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

D347-4095 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with D347-4095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4095?
Check Price and Availability of D347-4095, 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 D347-4095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4095
  • 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 D347-4095 available by request