0731-0004 Screening compound: 4-{1,1-bis[4-(dimethylamino)phenyl]butyl}-N,N-dimethylaniline

0731-0004 Screening compound: 4-{1,1-bis[4-(dimethylamino)phenyl]butyl}-N,N-dimethylaniline
0731-0004 Screening compound: 4-{1,1-bis[4-(dimethylamino)phenyl]butyl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0731-0004
4-{1,1-bis[4-(dimethylamino)phenyl]butyl}-N,N-dimethylaniline

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

0731-0004

Molecular Formula

C28H37N3 (C28 H37 N3)

Compound Name

4-{1,1-bis[4-(dimethylamino)phenyl]butyl}-N,N-dimethylaniline

IUPAC name

4-{11-bis[4-(dimethylamino)phenyl]butyl}-NN-dimethylaniline

SMILES

CCCC(c(cc1)ccc1N(C)C)(c(cc1)ccc1N(C)C)c(cc1)ccc1N(C)C

InChI

InChI=1S/C28H37N3/c1-8-21-28(22-9-15-25(16-10-22)29(2)3,23-11-17-26(18-12-23)30(4)5)24-13-19-27(20-14-24)31(6)7/h9-20H,8,21H2,1-7H3

InChI Key

AEIWNYPXKYMJIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.62

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.801

Distribution Coefficient, logD

6.800

Water Solubility, LogSw

-6.01

Polar Surface Area

8.110

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

0731-0004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0731-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0731-0004?
Check Price and Availability of 0731-0004, 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 0731-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0731-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0731-0004
  • 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 0731-0004 available by request