5511-0418 Screening compound: 4-chloro-2-methoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

5511-0418 Screening compound: 4-chloro-2-methoxy-5-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
5511-0418 Screening compound: 4-chloro-2-methoxy-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 5511-0418
4-chloro-2-methoxy-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

5511-0418

Molecular Formula

C22H19ClN2O3S (C22 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

7-(2-chloro-45-dimethoxyphenyl)-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

COc(c(OC)c1)cc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)c1Cl

InChI

InChI=1S/C22H19ClN2O3S/c1-26-19-10-14(15(23)11-20(19)27-2)22-25-17(13-6-3-4-7-18(13)28-22)12-16(24-25)21-8-5-9-29-21/h3-11,17,22H,12H2,1-2H3

InChI Key

FJAONGRPFCIEFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.79

Polar Surface Area

38.325

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

5511-0418 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5511-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0418?
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What is the minimum amount of 5511-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0418
  • 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 5511-0418 available by request