D331-0201 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine

D331-0201 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine
D331-0201 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0201
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine

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

D331-0201

Molecular Formula

C22H19N5O6 (C22 H19 N5 O6)

Compound Name

N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(3-nitrobenzoyl)-1H-124-triazol-5-amine

SMILES

COc(ccc(CNc1nc(-c2ccco2)nn1C(c1cccc([N+]([O-])=O)c1)=O)c1)c1OC

InChI

InChI=1S/C22H19N5O6/c1-31-17-9-8-14(11-19(17)32-2)13-23-22-24-20(18-7-4-10-33-18)25-26(22)21(28)15-5-3-6-16(12-15)27(29)30/h3-12H,13H2,1-2H3,(H,23,24,25)

InChI Key

WQPTWFCIAYSOIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

2.913

Water Solubility, LogSw

-3.39

Polar Surface Area

106.448

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D331-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0201?
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What is the minimum amount of D331-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0201
  • 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 D331-0201 available by request