C202-1320 Screening compound: ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1320 Screening compound: ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1320 Screening compound: ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1320
ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-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

C202-1320

Molecular Formula

C19H23BrN4O2S (C19 H23 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCSc1nn(C(c(cc2)ccc2Br)C(C(OCC)=O)=C(C)N2)c2n1

InChI

InChI=1S/C19H23BrN4O2S/c1-4-6-11-27-19-22-18-21-12(3)15(17(25)26-5-2)16(24(18)23-19)13-7-9-14(20)10-8-13/h7-10,16H,4-6,11H2,1-3H3,(H,21,22,23)/t16-/m0/s1

InChI Key

NTONKDAIIBDBQJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14730402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.662

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-5.33

Polar Surface Area

56.525

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with C202-1320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1320?
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What is the minimum amount of C202-1320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1320
  • 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 C202-1320 available by request