1809-0036 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

1809-0036 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide
1809-0036 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0036
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

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

1809-0036

Molecular Formula

C18H13Br2N7O3 (C18 H13 Br2 N7 O3)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]-N'-[(Z)-(35-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

SMILES

Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc1Br)cc(Br)c1O)=O

InChI

InChI=1S/C18H13Br2N7O3/c19-10-5-9(6-11(20)16(10)29)7-22-24-14(28)8-27-13-4-2-1-3-12(13)23-18(27)15-17(21)26-30-25-15/h1-7,29H,8H2,(H2,21,26)(H,24,28)

InChI Key

XWEWMHPSYOJXHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.73

Polar Surface Area

117.834

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1809-0036 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1809-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1809-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0036
  • 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 1809-0036 available by request