D394-6560 Screening compound: 4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine

D394-6560 Screening compound: 4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine
D394-6560 Screening compound: 4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6560
4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-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

D394-6560

Molecular Formula

C17H21N5O6 (C17 H21 N5 O6)

Compound Name

4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[4-(345-trimethoxybenzoyl)piperazine-1-carbonyl]-125-oxadiazol-3-amine

SMILES

COc1cc(C(N(CC2)CCN2C(c2nonc2N)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C17H21N5O6/c1-25-11-8-10(9-12(26-2)14(11)27-3)16(23)21-4-6-22(7-5-21)17(24)13-15(18)20-28-19-13/h8-9H,4-7H2,1-3H3,(H2,18,20)

InChI Key

QIRMKGVXNRLYBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.246

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-1.08

Polar Surface Area

113.406

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

D394-6560 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D394-6560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6560?
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What is the minimum amount of D394-6560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6560
  • 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 D394-6560 available by request