D394-6555 Screening compound: (4-amino-1,2,5-oxadiazol-3-yl){4-[4-(tert-butyl)benzoyl]piperazino}methanone

D394-6555 Screening compound: (4-amino-1,2,5-oxadiazol-3-yl){4-[4-(tert-butyl)benzoyl]piperazino}methanone
D394-6555 Screening compound: (4-amino-1,2,5-oxadiazol-3-yl){4-[4-(tert-butyl)benzoyl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6555
(4-amino-1,2,5-oxadiazol-3-yl){4-[4-(tert-butyl)benzoyl]piperazino}methanone

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

D394-6555

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

(4-amino-1,2,5-oxadiazol-3-yl){4-[4-(tert-butyl)benzoyl]piperazino}methanone

IUPAC name

4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]-125-oxadiazol-3-amine

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCN1C(c1nonc1N)=O)=O

InChI

InChI=1S/C18H23N5O3/c1-18(2,3)13-6-4-12(5-7-13)16(24)22-8-10-23(11-9-22)17(25)14-15(19)21-26-20-14/h4-7H,8-11H2,1-3H3,(H2,19,21)

InChI Key

TXZBSQIBWRVGCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.45

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

44.44

References: we are preparing a list of scientific research reports with D394-6555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6555?
Check Price and Availability of D394-6555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D394-6555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6555
  • 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 D394-6555 available by request