8017-1102 Screening compound: ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}propanoate

8017-1102 Screening compound: ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}propanoate
8017-1102 Screening compound: ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1102
ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}propanoate

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

8017-1102

Molecular Formula

C22H25N5O4 (C22 H25 N5 O4)

Compound Name

ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}propanoate

IUPAC name

ethyl 3-(4-methoxyphenyl)-3-{2-[5-(2-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido}propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(Cn1nnc(-c2c(C)cccc2)n1)=O)=O

InChI

InChI=1S/C22H25N5O4/c1-4-31-21(29)13-19(16-9-11-17(30-3)12-10-16)23-20(28)14-27-25-22(24-26-27)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3,(H,23,28)/t19-/m0/s1

InChI Key

QKNHMIWVSUPZTB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06014144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.32

Polar Surface Area

90.146

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

8017-1102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Integrin Receptors Targeted library (1715 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1102?
Check Price and Availability of 8017-1102, 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 8017-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1102
  • 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 8017-1102 available by request