3175-0667 Screening compound: ethyl 2-[5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

3175-0667 Screening compound: ethyl 2-[5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
3175-0667 Screening compound: ethyl 2-[5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0667
ethyl 2-[5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

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

3175-0667

Molecular Formula

C15H12BrN7O3 (C15 H12 BrN7 O3)

Compound Name

ethyl 2-[5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

IUPAC name

ethyl 2-{8-[(3-bromophenyl)amino]-4-oxa-13571011-hexaazatricyclo[7.3.0.0^{26}]dodeca-257911-pentaen-12-yl}acetate

SMILES

CCOC(Cc1nnc2n1c1nonc1nc2Nc1cccc(Br)c1)=O

InChI

InChI=1S/C15H12BrN7O3/c1-2-25-11(24)7-10-19-20-14-12(17-9-5-3-4-8(16)6-9)18-13-15(23(10)14)22-26-21-13/h3-6H,2,7H2,1H3,(H,17,18,21)

InChI Key

IUFCEYYJSPINNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.27

Polar Surface Area

98.410

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3175-0667 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 3175-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0667?
Check Price and Availability of 3175-0667, 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 3175-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0667
  • 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 3175-0667 available by request