8018-1569 Screening compound: N1-[(3-bromo-4,5-diethoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine

8018-1569 Screening compound: N1-[(3-bromo-4,5-diethoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine
8018-1569 Screening compound: N1-[(3-bromo-4,5-diethoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1569
N1-[(3-bromo-4,5-diethoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine

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

8018-1569

Molecular Formula

C12H17BrN6O2 (C12 H17 BrN6 O2)

Compound Name

N1-[(3-bromo-4,5-diethoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

N1-[(3-bromo-45-diethoxyphenyl)methyl]-1H-1234-tetrazole-15-diamine

SMILES

CCOc1cc(CNn2nnnc2N)cc(Br)c1OCC

InChI

InChI=1S/C12H17BrN6O2/c1-3-20-10-6-8(5-9(13)11(10)21-4-2)7-15-19-12(14)16-17-18-19/h5-6,15H,3-4,7H2,1-2H3,(H2,14,16,18)

InChI Key

AECCXAHSSUXUQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07023010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-1.94

Polar Surface Area

87.417

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8018-1569 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8018-1569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1569?
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What is the minimum amount of 8018-1569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1569
  • 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 8018-1569 available by request