8104-04984 Screening compound: 4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

8104-04984 Screening compound: 4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
8104-04984 Screening compound: 4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04984
4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}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

8104-04984

Molecular Formula

C18H26N6O4 (C18 H26 N6 O4)

Compound Name

4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-{2-[({4-[(tert-butylcarbamoyl)methoxy]phenyl}methyl)amino]ethyl}-125-oxadiazole-3-carboxamide

SMILES

CC(C)(C)NC(COc1ccc(CNCCNC(c2nonc2N)=O)cc1)=O

InChI

InChI=1S/C18H26N6O4/c1-18(2,3)22-14(25)11-27-13-6-4-12(5-7-13)10-20-8-9-21-17(26)15-16(19)24-28-23-15/h4-7,20H,8-11H2,1-3H3,(H2,19,24)(H,21,26)(H,22,25)

InChI Key

DZYFJLHBGZVDMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07407043

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.552

Distribution Coefficient, logD

-0.256

Water Solubility, LogSw

-1.77

Polar Surface Area

124.252

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8104-04984 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 8104-04984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04984?
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What is the minimum amount of 8104-04984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04984
  • 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 8104-04984 available by request