4077-0208 Screening compound: 2-[9-chloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

4077-0208 Screening compound: 2-[9-chloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
4077-0208 Screening compound: 2-[9-chloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4077-0208
2-[9-chloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

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

4077-0208

Molecular Formula

C23H18Cl2N2O2 (C23 H18 Cl2 N2 O2)

Compound Name

2-[9-chloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

IUPAC name

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

SMILES

COc1c(C(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Cl)cccc1

InChI

InChI=1S/C23H18Cl2N2O2/c1-28-21-5-3-2-4-17(21)23-27-20(18-12-16(25)10-11-22(18)29-23)13-19(26-27)14-6-8-15(24)9-7-14/h2-12,20,23H,13H2,1H3

InChI Key

GRPBMTAWHGNVPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.630

Distribution Coefficient, logD

6.630

Water Solubility, LogSw

-6.51

Polar Surface Area

29.676

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

4077-0208 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4077-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4077-0208?
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What is the minimum amount of 4077-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4077-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4077-0208
  • 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 4077-0208 available by request