6105-1412 Screening compound: [5-(BENZYLOXY)-2,2,4,6,7-PENTAMETHYL-2,3-DIHYDRO-1-BENZOFURAN-3-YL]METHANOL

6105-1412 Screening compound: [5-(BENZYLOXY)-2,2,4,6,7-PENTAMETHYL-2,3-DIHYDRO-1-BENZOFURAN-3-YL]METHANOL
6105-1412 Screening compound: [5-(BENZYLOXY)-2,2,4,6,7-PENTAMETHYL-2,3-DIHYDRO-1-BENZOFURAN-3-YL]METHANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound 6105-1412
[5-(BENZYLOXY)-2,2,4,6,7-PENTAMETHYL-2,3-DIHYDRO-1-BENZOFURAN-3-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

6105-1412

Molecular Formula

C21H26O3 (C21 H26 O3)

Compound Name

[5-(BENZYLOXY)-2,2,4,6,7-PENTAMETHYL-2,3-DIHYDRO-1-BENZOFURAN-3-YL]METHANOL

IUPAC name

n/a

SMILES

CC(C)(C(CO)c1c2C)Oc1c(C)c(C)c2OCc1ccccc1

InChI

InChI=1S/C21H26O3/c1-13-14(2)20-18(17(11-22)21(4,5)24-20)15(3)19(13)23-12-16-9-7-6-8-10-16/h6-10,17,22H,11-12H2,1-5H3/t17-/m0/s1

InChI Key

NUQAIFPOAPOUGS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03196299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.71

Polar Surface Area

31.753

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

6105-1412 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6105-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6105-1412?
Check Price and Availability of 6105-1412, 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 6105-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6105-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6105-1412
  • 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 6105-1412 available by request