4487-1030 Screening compound: 4-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)morpholine

4487-1030 Screening compound: 4-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)morpholine
4487-1030 Screening compound: 4-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4487-1030
4-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)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

4487-1030

Molecular Formula

C28H28N4O5S3 (C28 H28 N4 O5 S3)

Compound Name

4-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)morpholine

IUPAC name

4-(4-{2-[5-(34-dimethoxyphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazol-4-yl}benzenesulfonyl)morpholine

SMILES

COc(ccc(C(C1)N(c2nc(-c(cc3)ccc3S(N3CCOCC3)(=O)=O)cs2)N=C1c1cccs1)c1)c1OC

InChI

InChI=1S/C28H28N4O5S3/c1-35-25-10-7-20(16-26(25)36-2)24-17-22(27-4-3-15-38-27)30-32(24)28-29-23(18-39-28)19-5-8-21(9-6-19)40(33,34)31-11-13-37-14-12-31/h3-10,15-16,18,24H,11-14,17H2,1-2H3/t24-/m0/s1

InChI Key

BLEDRXSVBZRRFX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01036628

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

596.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.903

Water Solubility, LogSw

-5.69

Polar Surface Area

79.366

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4487-1030 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4487-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4487-1030?
Check Price and Availability of 4487-1030, 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 4487-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4487-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4487-1030
  • 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 4487-1030 available by request