2545-0440 Screening compound: 4-[5-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-2-methoxyphenyl methyl ether

2545-0440 Screening compound: 4-[5-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-2-methoxyphenyl methyl ether
2545-0440 Screening compound: 4-[5-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0440
4-[5-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-2-methoxyphenyl 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

2545-0440

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

4-[5-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-2-methoxyphenyl methyl ether

IUPAC name

7-(4-chlorophenyl)-4-(34-dimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

COc(ccc(C(CC12)=NN1C(c(cc1)ccc1Cl)Oc1c2cccc1)c1)c1OC

InChI

InChI=1S/C24H21ClN2O3/c1-28-22-12-9-16(13-23(22)29-2)19-14-20-18-5-3-4-6-21(18)30-24(27(20)26-19)15-7-10-17(25)11-8-15/h3-13,20,24H,14H2,1-2H3

InChI Key

NCAORIQGIQUYGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

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

5.484

Distribution Coefficient, logD

5.484

Water Solubility, LogSw

-6.29

Polar Surface Area

37.307

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

2545-0440 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 2545-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0440?
Check Price and Availability of 2545-0440, 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 2545-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0440
  • 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 2545-0440 available by request