8005-9776 Screening compound: 4-({4-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)morpholine

8005-9776 Screening compound: 4-({4-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)morpholine
8005-9776 Screening compound: 4-({4-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9776
4-({4-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)morpholine

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

8005-9776

Molecular Formula

C28H26N4O3S2 (C28 H26 N4 O3 S2)

Compound Name

4-({4-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)morpholine

IUPAC name

4-{4-[2-(35-diphenyl-45-dihydro-1H-pyrazol-1-yl)-13-thiazol-4-yl]benzenesulfonyl}morpholine

SMILES

O=S(c(cc1)ccc1-c1csc(N(C(C2)c3ccccc3)N=C2c2ccccc2)n1)(N1CCOCC1)=O

InChI

InChI=1S/C28H26N4O3S2/c33-37(34,31-15-17-35-18-16-31)24-13-11-22(12-14-24)26-20-36-28(29-26)32-27(23-9-5-2-6-10-23)19-25(30-32)21-7-3-1-4-8-21/h1-14,20,27H,15-19H2/t27-/m0/s1

InChI Key

HHMRVQQFYVOJKX-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00823087

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

530.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.301

Distribution Coefficient, logD

6.301

Water Solubility, LogSw

-6.33

Polar Surface Area

63.087

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8005-9776 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8005-9776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9776?
Check Price and Availability of 8005-9776, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-9776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9776
  • 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 8005-9776 available by request