C200-4685 Screening compound: 5-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

C200-4685 Screening compound: 5-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
C200-4685 Screening compound: 5-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4685
5-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)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

C200-4685

Molecular Formula

C27H28N6O2S2 (C27 H28 N6 O2 S2)

Compound Name

5-[4-(2,5-dimethylphenyl)piperazino]-3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

IUPAC name

7-[4-(25-dimethylphenyl)piperazin-1-yl]-10-(4-ethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C27H28N6O2S2/c1-4-20-7-9-21(10-8-20)37(34,35)27-26-28-25(24-22(11-16-36-24)33(26)30-29-27)32-14-12-31(13-15-32)23-17-18(2)5-6-19(23)3/h5-11,16-17H,4,12-15H2,1-3H3

InChI Key

XRBNWODZFSNHIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.840

Distribution Coefficient, logD

6.840

Water Solubility, LogSw

-5.74

Polar Surface Area

69.106

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C200-4685 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C200-4685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4685?
Check Price and Availability of C200-4685, 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 C200-4685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4685
  • 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 C200-4685 available by request