4202-1595 Screening compound: 5-[4-(benzyloxy)phenyl]-9-bromo-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4202-1595 Screening compound: 5-[4-(benzyloxy)phenyl]-9-bromo-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4202-1595 Screening compound: 5-[4-(benzyloxy)phenyl]-9-bromo-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4202-1595
5-[4-(benzyloxy)phenyl]-9-bromo-2-(4-methylphenyl)-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

4202-1595

Molecular Formula

C30H25BrN2O2 (C30 H25 BrN2 O2)

Compound Name

5-[4-(benzyloxy)phenyl]-9-bromo-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-[4-(benzyloxy)phenyl]-12-bromo-4-(4-methylphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1OCc1ccccc1)Oc(cc1)c2cc1Br

InChI

InChI=1S/C30H25BrN2O2/c1-20-7-9-22(10-8-20)27-18-28-26-17-24(31)13-16-29(26)35-30(33(28)32-27)23-11-14-25(15-12-23)34-19-21-5-3-2-4-6-21/h2-17,28,30H,18-19H2,1H3

InChI Key

MHLDAXVHYGQGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.899

Distribution Coefficient, logD

7.899

Water Solubility, LogSw

-5.93

Polar Surface Area

29.273

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

4202-1595 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4202-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4202-1595?
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What is the minimum amount of 4202-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4202-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4202-1595
  • 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 4202-1595 available by request