4202-1621 Screening compound: 9-bromo-2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4202-1621 Screening compound: 9-bromo-2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4202-1621 Screening compound: 9-bromo-2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4202-1621
9-bromo-2-(4-chlorophenyl)-5-(4-isopropylphenyl)-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

4202-1621

Molecular Formula

C25H22BrClN2O (C25 H22 BrClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C25H22BrClN2O/c1-15(2)16-3-5-18(6-4-16)25-29-23(21-13-19(26)9-12-24(21)30-25)14-22(28-29)17-7-10-20(27)11-8-17/h3-13,15,23,25H,14H2,1-2H3

InChI Key

HNSHWRRZNIZJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.995

Distribution Coefficient, logD

7.995

Water Solubility, LogSw

-6.82

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 4202-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4202-1621?
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What is the minimum amount of 4202-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4202-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4202-1621
  • 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 4202-1621 available by request