C202-1217 Screening compound: ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1217 Screening compound: ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1217 Screening compound: ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1217
ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

C202-1217

Molecular Formula

C22H21BrN4O2S (C22 H21 BrN4 O2 S)

Compound Name

ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1cccc(Br)c1)=O

InChI

InChI=1S/C22H21BrN4O2S/c1-3-29-20(28)18-14(2)24-21-25-22(30-13-15-8-5-4-6-9-15)26-27(21)19(18)16-10-7-11-17(23)12-16/h4-12,19H,3,13H2,1-2H3,(H,24,25,26)/t19-/m0/s1

InChI Key

VTMBGKCTIUNWDF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14730367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.40

Polar Surface Area

56.253

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C202-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1217?
Check Price and Availability of C202-1217, 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 C202-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1217
  • 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 C202-1217 available by request