D272-0055 Screening compound: 4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

D272-0055 Screening compound: 4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
D272-0055 Screening compound: 4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0055
4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

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

D272-0055

Molecular Formula

C13H16BrN5O3 (C13 H16 BrN5 O3)

Compound Name

4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}ethyl)-125-oxadiazole-3-carboxamide

SMILES

COc(cc1)c(CNCCNC(c2nonc2N)=O)cc1Br

InChI

InChI=1S/C13H16BrN5O3/c1-21-10-3-2-9(14)6-8(10)7-16-4-5-17-13(20)11-12(15)19-22-18-11/h2-3,6,16H,4-5,7H2,1H3,(H2,15,19)(H,17,20)

InChI Key

ZYLOHSWMNQSNDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406718

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.135

Distribution Coefficient, logD

0.075

Water Solubility, LogSw

-2.14

Polar Surface Area

101.087

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D272-0055 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D272-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0055?
Check Price and Availability of D272-0055, 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 D272-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0055
  • 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 D272-0055 available by request