D394-6520 Screening compound: 4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine

D394-6520 Screening compound: 4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine
D394-6520 Screening compound: 4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6520
4-[4-(2-methylbenzoyl)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

D394-6520

Molecular Formula

C15H17N5O3 (C15 H17 N5 O3)

Compound Name

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

IUPAC name

4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-125-oxadiazol-3-amine

SMILES

Cc(cccc1)c1C(N(CC1)CCN1C(c1nonc1N)=O)=O

InChI

InChI=1S/C15H17N5O3/c1-10-4-2-3-5-11(10)14(21)19-6-8-20(9-7-19)15(22)12-13(16)18-23-17-12/h2-5H,6-9H2,1H3,(H2,16,18)

InChI Key

GVTOGAXLGIIBAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.921

Distribution Coefficient, logD

0.921

Water Solubility, LogSw

-2.02

Polar Surface Area

90.428

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D394-6520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6520?
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What is the minimum amount of D394-6520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6520
  • 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 D394-6520 available by request