6835-5269 Screening compound: methyl 4-[7-methoxy-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

6835-5269 Screening compound: methyl 4-[7-methoxy-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
6835-5269 Screening compound: methyl 4-[7-methoxy-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5269
methyl 4-[7-methoxy-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

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

6835-5269

Molecular Formula

C23H20N2O4S (C23 H20 N2 O4 S)

Compound Name

methyl 4-[7-methoxy-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

IUPAC name

methyl 4-[10-methoxy-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraen-7-yl]benzoate

SMILES

COC(c1ccc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3OC)cc1)=O

InChI

InChI=1S/C23H20N2O4S/c1-27-19-6-3-5-16-18-13-17(20-7-4-12-30-20)24-25(18)22(29-21(16)19)14-8-10-15(11-9-14)23(26)28-2/h3-12,18,22H,13H2,1-2H3

InChI Key

ZTZWOMJFTTYCFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03954679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.067

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-4.75

Polar Surface Area

51.553

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

6835-5269 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6835-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5269?
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What is the minimum amount of 6835-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5269
  • 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 6835-5269 available by request