8018-1573 Screening compound: N1-[(3,4-diethoxy-5-nitrophenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine

8018-1573 Screening compound: N1-[(3,4-diethoxy-5-nitrophenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine
8018-1573 Screening compound: N1-[(3,4-diethoxy-5-nitrophenyl)methyl]-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1573
N1-[(3,4-diethoxy-5-nitrophenyl)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

8018-1573

Molecular Formula

C12H17N7O4 (C12 H17 N7 O4)

Compound Name

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

IUPAC name

N1-[(34-diethoxy-5-nitrophenyl)methyl]-1H-1234-tetrazole-15-diamine

SMILES

CCOc1cc(CNn2nnnc2N)cc([N+]([O-])=O)c1OCC

InChI

InChI=1S/C12H17N7O4/c1-3-22-10-6-8(7-14-18-12(13)15-16-17-18)5-9(19(20)21)11(10)23-4-2/h5-6,14H,3-4,7H2,1-2H3,(H2,13,15,17)

InChI Key

RXZIJDZDYYISLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07023013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.643

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-1.80

Polar Surface Area

120.498

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8018-1573 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 8018-1573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1573?
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What is the minimum amount of 8018-1573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1573
  • 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 8018-1573 available by request