4013-2645 Screening compound: 1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-ol

4013-2645 Screening compound: 1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-ol
4013-2645 Screening compound: 1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-2645
1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-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

4013-2645

Molecular Formula

C40H44N2O4 (C40 H44 N2 O4)

Compound Name

1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-ol

IUPAC name

1-(dibenzylamino)-3-{4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy}propan-2-ol

SMILES

OC(CN(Cc1ccccc1)Cc1ccccc1)COc(cc1)ccc1OCC(CN(Cc1ccccc1)Cc1ccccc1)O

InChI

InChI=1S/C40H44N2O4/c43-37(29-41(25-33-13-5-1-6-14-33)26-34-15-7-2-8-16-34)31-45-39-21-23-40(24-22-39)46-32-38(44)30-42(27-35-17-9-3-10-18-35)28-36-19-11-4-12-20-36/h1-24,37-38,43-44H,25-32H2

InChI Key

HOBJQNDPHXNUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01067983

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

616.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.082

Distribution Coefficient, logD

7.019

Water Solubility, LogSw

-6.06

Polar Surface Area

55.356

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

4013-2645 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4013-2645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-2645?
Check Price and Availability of 4013-2645, 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 4013-2645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-2645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-2645
  • 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 4013-2645 available by request