4077-0155 Screening compound: 2-(4-chlorophenyl)-5-isopropyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4077-0155 Screening compound: 2-(4-chlorophenyl)-5-isopropyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4077-0155 Screening compound: 2-(4-chlorophenyl)-5-isopropyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4077-0155
2-(4-chlorophenyl)-5-isopropyl-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

4077-0155

Molecular Formula

C19H19ClN2O (C19 H19 ClN2 O)

Compound Name

2-(4-chlorophenyl)-5-isopropyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

4-(4-chlorophenyl)-7-(propan-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CC(C)C(N(C1C2)N=C2c(cc2)ccc2Cl)Oc2c1cccc2

InChI

InChI=1S/C19H19ClN2O/c1-12(2)19-22-17(15-5-3-4-6-18(15)23-19)11-16(21-22)13-7-9-14(20)10-8-13/h3-10,12,17,19H,11H2,1-2H3

InChI Key

ITNCIGYKTVOSNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.83

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

5.483

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-6.16

Polar Surface Area

22.317

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

4077-0155 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 4077-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4077-0155?
Check Price and Availability of 4077-0155, 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 4077-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4077-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4077-0155
  • 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 4077-0155 available by request