8013-5763 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide

8013-5763 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide
8013-5763 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5763
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide

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

8013-5763

Molecular Formula

C26H26FN5O4 (C26 H26 FN5 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1234-tetrazol-2-yl)acetamide

SMILES

COc(ccc(CCNC(Cn1nnc(-c(cc2)ccc2OCc(cccc2)c2F)n1)=O)c1)c1OC

InChI

InChI=1S/C26H26FN5O4/c1-34-23-12-7-18(15-24(23)35-2)13-14-28-25(33)16-32-30-26(29-31-32)19-8-10-21(11-9-19)36-17-20-5-3-4-6-22(20)27/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,33)

InChI Key

HMMLFGWVHVBBCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.41

Polar Surface Area

85.143

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8013-5763 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8013-5763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5763?
Check Price and Availability of 8013-5763, 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 8013-5763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5763
  • 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 8013-5763 available by request