3168-0364 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 4-bromobenzoate

3168-0364 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 4-bromobenzoate
3168-0364 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0364
4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 4-bromobenzoate

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

3168-0364

Molecular Formula

C29H21BrN2O3 (C29 H21 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Br)Oc1ccc(C(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)cc1

InChI

InChI=1S/C29H21BrN2O3/c30-22-14-10-21(11-15-22)29(33)34-23-16-12-20(13-17-23)28-32-26(24-8-4-5-9-27(24)35-28)18-25(31-32)19-6-2-1-3-7-19/h1-17,26,28H,18H2

InChI Key

YHXKCIKHFSXMAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03040293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.4

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

7.119

Distribution Coefficient, logD

7.119

Water Solubility, LogSw

-6.32

Polar Surface Area

42.424

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 3168-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0364?
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What is the minimum amount of 3168-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0364
  • 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 3168-0364 available by request