8012-8084 Screening compound: (Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

8012-8084 Screening compound: (Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
8012-8084 Screening compound: (Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8084
(Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

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

8012-8084

Molecular Formula

C12H13BrN6O3 (C12 H13 BrN6 O3)

Compound Name

(Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

IUPAC name

(Z)-4-amino-N'-[(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino]-125-oxadiazole-3-carboximidamide

SMILES

CCOc1cc(/C=N/N=C(/c2nonc2N)\N)cc(Br)c1O

InChI

InChI=1S/C12H13BrN6O3/c1-2-21-8-4-6(3-7(13)10(8)20)5-16-17-11(14)9-12(15)19-22-18-9/h3-5,20H,2H2,1H3,(H2,14,17)(H2,15,19)

InChI Key

WKAUOAZWSSLYPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-1.80

Polar Surface Area

119.298

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8012-8084 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-8084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8084?
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What is the minimum amount of 8012-8084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8084
  • 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 8012-8084 available by request