C202-2033 Screening compound: ethyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2033 Screening compound: ethyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2033 Screening compound: ethyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-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 C202-2033
ethyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-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

C202-2033

Molecular Formula

C20H19FN4O2S2 (C20 H19 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1=C(C)Nc2nc(SCc(cc3)ccc3F)nn2C1c1cccs1)=O

InChI

InChI=1S/C20H19FN4O2S2/c1-3-27-18(26)16-12(2)22-19-23-20(29-11-13-6-8-14(21)9-7-13)24-25(19)17(16)15-5-4-10-28-15/h4-10,17H,3,11H2,1-2H3,(H,22,23,24)/t17-/m0/s1

InChI Key

XGMMICZSXDEGCS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14730742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

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

4.270

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.15

Polar Surface Area

57.271

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C202-2033 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2033?
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What is the minimum amount of C202-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2033
  • 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 C202-2033 available by request