C200-2934 Screening compound: ethyl 4-[4-(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

C200-2934 Screening compound: ethyl 4-[4-(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
C200-2934 Screening compound: ethyl 4-[4-(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2934
ethyl 4-[4-(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

C200-2934

Molecular Formula

C23H32N6O4S (C23 H32 N6 O4 S)

Compound Name

ethyl 4-[4-(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{4-[8-(3-methylbutyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]butanoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CCCc(n1-c2c3scc2)nnc1N(CCC(C)C)C3=O)=O)=O

InChI

InChI=1S/C23H32N6O4S/c1-4-33-23(32)27-13-11-26(12-14-27)19(30)7-5-6-18-24-25-22-28(10-8-16(2)3)21(31)20-17(29(18)22)9-15-34-20/h9,15-16H,4-8,10-14H2,1-3H3

InChI Key

YPEDGBHUGBNBRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.500

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-2.46

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

C200-2934 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-2934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2934?
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What is the minimum amount of C200-2934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2934
  • 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 C200-2934 available by request