8016-9229 Screening compound: ethyl 3-{2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-3-phenylpropanoate

8016-9229 Screening compound: ethyl 3-{2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-3-phenylpropanoate
8016-9229 Screening compound: ethyl 3-{2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9229
ethyl 3-{2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-3-phenylpropanoate

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

8016-9229

Molecular Formula

C20H20ClN5O3 (C20 H20 ClN5 O3)

Compound Name

ethyl 3-{2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-3-phenylpropanoate

IUPAC name

ethyl 3-{2-[5-(4-chlorophenyl)-2H-1234-tetrazol-2-yl]acetamido}-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(Cn1nnc(-c(cc2)ccc2Cl)n1)=O)=O

InChI

InChI=1S/C20H20ClN5O3/c1-2-29-19(28)12-17(14-6-4-3-5-7-14)22-18(27)13-26-24-20(23-25-26)15-8-10-16(21)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,22,27)/t17-/m0/s1

InChI Key

XBEXWIUSNVTRMC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05860312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-4.06

Polar Surface Area

82.602

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8016-9229 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

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 8016-9229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9229?
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What is the minimum amount of 8016-9229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9229
  • 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 8016-9229 available by request