6969-1334 Screening compound: 2,3-dimethoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

6969-1334 Screening compound: 2,3-dimethoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
6969-1334 Screening compound: 2,3-dimethoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-1334
2,3-dimethoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

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

6969-1334

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

2,3-dimethoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

IUPAC name

4-(thiophen-2-yl)-7-(345-trimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

COc1cc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)cc(OC)c1OC

InChI

InChI=1S/C23H22N2O4S/c1-26-19-11-14(12-20(27-2)22(19)28-3)23-25-17(15-7-4-5-8-18(15)29-23)13-16(24-25)21-9-6-10-30-21/h4-12,17,23H,13H2,1-3H3

InChI Key

SVJFFUHNFVDESD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04184142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.67

Polar Surface Area

46.042

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 6969-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-1334?
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What is the minimum amount of 6969-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-1334
  • 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 6969-1334 available by request