C200-4688 Screening compound: 5-(4-benzhydrylpiperazino)-3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

C200-4688 Screening compound: 5-(4-benzhydrylpiperazino)-3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
C200-4688 Screening compound: 5-(4-benzhydrylpiperazino)-3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4688
5-(4-benzhydrylpiperazino)-3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

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

C200-4688

Molecular Formula

C33H32N6O2S2 (C33 H32 N6 O2 S2)

Compound Name

5-(4-benzhydrylpiperazino)-3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

IUPAC name

7-[4-(diphenylmethyl)piperazin-1-yl]-10-[4-(propan-2-yl)benzenesulfonyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CC(C)c(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3N(CC1)CCN1C(c1ccccc1)c1ccccc1)(=O)=O

InChI

InChI=1S/C33H32N6O2S2/c1-23(2)24-13-15-27(16-14-24)43(40,41)33-32-34-31(30-28(17-22-42-30)39(32)36-35-33)38-20-18-37(19-21-38)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-17,22-23,29H,18-21H2,1-2H3

InChI Key

JTFJCKLSHKPETR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.715

Distribution Coefficient, logD

7.705

Water Solubility, LogSw

-5.93

Polar Surface Area

68.708

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.20

C200-4688 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-4688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4688?
Check Price and Availability of C200-4688, 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 C200-4688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4688
  • 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 C200-4688 available by request