1671-0003 Screening compound: 1,1'-bis({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl})-[4,4'-bipyridine]-1,1'-diium

1671-0003 Screening compound: 1,1'-bis({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl})-[4,4'-bipyridine]-1,1'-diium
1671-0003 Screening compound: 1,1'-bis({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl})-[4,4'-bipyridine]-1,1'-diium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1671-0003
1,1'-bis({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl})-[4,4'-bipyridine]-1,1'-diium

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

1671-0003

Molecular Formula

C50H74N2O2 (C50 H74 N2 O2)

Compound Name

1,1'-bis({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl})-[4,4'-bipyridine]-1,1'-diium

IUPAC name

11'-bis({4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl})-[44'-bipyridine]-11'-diium

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCC[n+](cc1)ccc1-c1cc[n+](CCCCOc2c(C(C)(C)CC)cc(C(C)(C)CC)cc2)cc1

InChI

InChI=1S/C50H74N2O2/c1-13-47(5,6)41-21-23-45(43(37-41)49(9,10)15-3)53-35-19-17-29-51-31-25-39(26-32-51)40-27-33-52(34-28-40)30-18-20-36-54-46-24-22-42(48(7,8)14-2)38-44(46)50(11,12)16-4/h21-28,31-34,37-38H,13-20,29-30,35-36H2,1-12H3/q+2

InChI Key

RMMXTOLYCPOZAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246660

Chemical and Physical Properties

Saltdata

2Br-

Molecular Weight

735.15

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

14.485

Distribution Coefficient, logD

14.485

Water Solubility, LogSw

-5.90

Polar Surface Area

20.518

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

1671-0003 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1671-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1671-0003?
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What is the minimum amount of 1671-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1671-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1671-0003
  • 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 1671-0003 available by request