8013-1479 Screening compound: ethyl 5-[({2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate

8013-1479 Screening compound: ethyl 5-[({2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate
8013-1479 Screening compound: ethyl 5-[({2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1479
ethyl 5-[({2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate

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

8013-1479

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

ethyl 5-[({2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate

IUPAC name

ethyl 5-[({2-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}amino)methyl]furan-2-carboxylate

SMILES

CCC(C)(c1nnnn1-c1c(C)cccc1C)NCc1ccc(C(OCC)=O)o1

InChI

InChI=1S/C21H27N5O3/c1-6-21(5,22-13-16-11-12-17(29-16)19(27)28-7-2)20-23-24-25-26(20)18-14(3)9-8-10-15(18)4/h8-12,22H,6-7,13H2,1-5H3/t21-/m0/s1

InChI Key

NJJZSPJMPUTPTO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03409332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.20

Polar Surface Area

78.608

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8013-1479 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1479?
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What is the minimum amount of 8013-1479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1479
  • 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 8013-1479 available by request