8007-3620 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole

8007-3620 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
8007-3620 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3620
2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole

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

8007-3620

Molecular Formula

C28H29N3O2S2 (C28 H29 N3 O2 S2)

Compound Name

2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole

IUPAC name

2-[5-(34-dimethoxyphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-4-[4-(2-methylpropyl)phenyl]-13-thiazole

SMILES

CC(C)Cc(cc1)ccc1-c1csc(N(C(C2)c(cc3)cc(OC)c3OC)N=C2c2cccs2)n1

InChI

InChI=1S/C28H29N3O2S2/c1-18(2)14-19-7-9-20(10-8-19)23-17-35-28(29-23)31-24(16-22(30-31)27-6-5-13-34-27)21-11-12-25(32-3)26(15-21)33-4/h5-13,15,17-18,24H,14,16H2,1-4H3/t24-/m0/s1

InChI Key

VYAAINDWBWEPCP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01036637

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

503.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.475

Distribution Coefficient, logD

8.475

Water Solubility, LogSw

-5.82

Polar Surface Area

39.747

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8007-3620 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8007-3620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3620?
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What is the minimum amount of 8007-3620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3620
  • 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 8007-3620 available by request