6969-1749 Screening compound: 5-(5-bromo-2-thienyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6969-1749 Screening compound: 5-(5-bromo-2-thienyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6969-1749 Screening compound: 5-(5-bromo-2-thienyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-1749
5-(5-bromo-2-thienyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

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

6969-1749

Molecular Formula

C18H13BrN2OS2 (C18 H13 BrN2 OS2)

Compound Name

5-(5-bromo-2-thienyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-(5-bromothiophen-2-yl)-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

Brc1ccc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)s1

InChI

InChI=1S/C18H13BrN2OS2/c19-17-8-7-16(24-17)18-21-13(11-4-1-2-5-14(11)22-18)10-12(20-21)15-6-3-9-23-15/h1-9,13,18H,10H2

InChI Key

YLASXUIRBMWQIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.98

Polar Surface Area

24.082

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

6969-1749 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6969-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-1749?
Check Price and Availability of 6969-1749, 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 6969-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-1749
  • 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 6969-1749 available by request