1809-0123 Screening compound: 6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

1809-0123 Screening compound: 6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
1809-0123 Screening compound: 6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0123
6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

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

1809-0123

Molecular Formula

C20H16BrN7O3 (C20 H16 BrN7 O3)

Compound Name

6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

IUPAC name

6-[(2E)-2-[(6-bromo-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(23-dimethylphenyl)-[125]oxadiazolo[34-b]pyrazin-5-amine

SMILES

Cc1cccc(Nc2nc3nonc3nc2N/N=C/c(cc2OCOc2c2)c2Br)c1C

InChI

InChI=1S/C20H16BrN7O3/c1-10-4-3-5-14(11(10)2)23-17-18(25-20-19(24-17)27-31-28-20)26-22-8-12-6-15-16(7-13(12)21)30-9-29-15/h3-8H,9H2,1-2H3,(H,23,24,27)(H,25,26,28)

InChI Key

GDMMXYVKMFATRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.058

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.63

Polar Surface Area

103.188

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1809-0123 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 1809-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0123?
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What is the minimum amount of 1809-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0123
  • 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 1809-0123 available by request