D175-0103 Screening compound: 4-amino-N-(2-{[(4-bromophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

D175-0103 Screening compound: 4-amino-N-(2-{[(4-bromophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
D175-0103 Screening compound: 4-amino-N-(2-{[(4-bromophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0103
4-amino-N-(2-{[(4-bromophenyl)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

D175-0103

Molecular Formula

C12H14BrN5O2 (C12 H14 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1C(NCCNCc(cc1)ccc1Br)=O

InChI

InChI=1S/C12H14BrN5O2/c13-9-3-1-8(2-4-9)7-15-5-6-16-12(19)10-11(14)18-20-17-10/h1-4,15H,5-7H2,(H2,14,18)(H,16,19)

InChI Key

LJGCWVCFKIMWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06600144

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

340.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.110

Distribution Coefficient, logD

0.466

Water Solubility, LogSw

-1.89

Polar Surface Area

93.457

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D175-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0103?
Check Price and Availability of D175-0103, 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 D175-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0103
  • 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 D175-0103 available by request