3168-0360 Screening compound: 4-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-methylbenzoate

3168-0360 Screening compound: 4-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-methylbenzoate
3168-0360 Screening compound: 4-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0360
4-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-methylbenzoate

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

3168-0360

Molecular Formula

C30H23ClN2O3 (C30 H23 ClN2 O3)

Compound Name

4-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-methylbenzoate

IUPAC name

4-[4-(4-chlorophenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraen-7-yl]phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc1ccc(C(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)cc1)=O

InChI

InChI=1S/C30H23ClN2O3/c1-19-6-8-22(9-7-19)30(34)35-24-16-12-21(13-17-24)29-33-27(25-4-2-3-5-28(25)36-29)18-26(32-33)20-10-14-23(31)15-11-20/h2-17,27,29H,18H2,1H3

InChI Key

DWJNTUBOYKKMCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02364677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.408

Distribution Coefficient, logD

7.408

Water Solubility, LogSw

-6.49

Polar Surface Area

42.424

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 3168-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0360?
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What is the minimum amount of 3168-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0360
  • 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 3168-0360 available by request