C202-2677 Screening compound: ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2677 Screening compound: ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2677 Screening compound: ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2677
ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-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

C202-2677

Molecular Formula

C14H16N4O2S2 (C14 H16 N4 O2 S2)

Compound Name

ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-methyl-2-(methylsulfanyl)-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SC)nn2C1c1cccs1)=O

InChI

InChI=1S/C14H16N4O2S2/c1-4-20-12(19)10-8(2)15-13-16-14(21-3)17-18(13)11(10)9-6-5-7-22-9/h5-7,11H,4H2,1-3H3,(H,15,16,17)/t11-/m0/s1

InChI Key

MFBPABFXCYULEZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD14731179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.14

Polar Surface Area

57.543

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C202-2677 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-2677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2677?
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What is the minimum amount of C202-2677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2677
  • 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 C202-2677 available by request