1671-0010 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium

1671-0010 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium
1671-0010 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1671-0010
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium

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

1671-0010

Molecular Formula

C27H42NO (C27 H42 NO)

Compound Name

1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium

IUPAC name

1-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-23-dimethylpyridin-1-ium

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCC[n+]1c(C)c(C)ccc1

InChI

InChI=1S/C27H42NO/c1-9-26(5,6)23-15-16-25(24(20-23)27(7,8)10-2)29-19-12-11-17-28-18-13-14-21(3)22(28)4/h13-16,18,20H,9-12,17,19H2,1-8H3/q+1

InChI Key

FBKDVLVCTRMCFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246664

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

396.64

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.822

Distribution Coefficient, logD

7.822

Water Solubility, LogSw

-5.74

Polar Surface Area

9.039

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

1671-0010 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1671-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1671-0010?
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What is the minimum amount of 1671-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1671-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1671-0010
  • 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 1671-0010 available by request