C200-7979 Screening compound: 2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

C200-7979 Screening compound: 2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide
C200-7979 Screening compound: 2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7979
2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

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

C200-7979

Molecular Formula

C22H25N5O6S (C22 H25 N5 O6 S)

Compound Name

2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-[8-(2-methylpropyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]-N-(345-trimethoxyphenyl)acetamide

SMILES

CC(C)CN(C(N1c2c3scc2)=NN(CC(Nc(cc2OC)cc(OC)c2OC)=O)C1=O)C3=O

InChI

InChI=1S/C22H25N5O6S/c1-12(2)10-25-20(29)19-14(6-7-34-19)27-21(25)24-26(22(27)30)11-17(28)23-13-8-15(31-3)18(33-5)16(9-13)32-4/h6-9,12H,10-11H2,1-5H3,(H,23,28)

InChI Key

HMRSXZDDZIZGOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.24

Polar Surface Area

95.352

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C200-7979 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C200-7979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7979?
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What is the minimum amount of C200-7979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7979
  • 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 C200-7979 available by request