D136-0039 Screening compound: 2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-2,1-benzisoxazol-5-yl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

D136-0039 Screening compound: 2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-2,1-benzisoxazol-5-yl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
D136-0039 Screening compound: 2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-2,1-benzisoxazol-5-yl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D136-0039
2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-2,1-benzisoxazol-5-yl]-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

D136-0039

Molecular Formula

C30H22ClN3O2 (C30 H22 ClN3 O2)

Compound Name

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

IUPAC name

4-(4-chlorophenyl)-7-[3-(4-methylphenyl)-21-benzoxazol-5-yl]-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Cc(cc1)ccc1-c1c(cc(C(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)cc2)c2no1

InChI

InChI=1S/C30H22ClN3O2/c1-18-6-8-20(9-7-18)29-24-16-21(12-15-25(24)33-36-29)30-34-27(23-4-2-3-5-28(23)35-30)17-26(32-34)19-10-13-22(31)14-11-19/h2-16,27,30H,17H2,1H3

InChI Key

OCOLTDIOZUGZFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07429041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.105

Distribution Coefficient, logD

8.105

Water Solubility, LogSw

-6.66

Polar Surface Area

43.529

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

D136-0039 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D136-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0039?
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What is the minimum amount of D136-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0039
  • 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 D136-0039 available by request