4570-0037 Screening compound: ethyl 4-methyl-2-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamido)-1,3-thiazole-5-carboxylate

4570-0037 Screening compound: ethyl 4-methyl-2-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamido)-1,3-thiazole-5-carboxylate
4570-0037 Screening compound: ethyl 4-methyl-2-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamido)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4570-0037
ethyl 4-methyl-2-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamido)-1,3-thiazole-5-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

4570-0037

Molecular Formula

C20H20N6O3S2 (C20 H20 N6 O3 S2)

Compound Name

ethyl 4-methyl-2-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamido)-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-(2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}butanamido)-13-thiazole-5-carboxylate

SMILES

CCC(C(Nc1nc(C)c(C(OCC)=O)s1)=O)Sc1nnc(c(cccc2)c2[nH]2)c2n1

InChI

InChI=1S/C20H20N6O3S2/c1-4-13(17(27)24-19-21-10(3)15(31-19)18(28)29-5-2)30-20-23-16-14(25-26-20)11-8-6-7-9-12(11)22-16/h6-9,13H,4-5H2,1-3H3,(H,21,24,27)(H,22,23,26)/t13-/m0/s1

InChI Key

RXYSZXLVTLTPGO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03197217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.13

Polar Surface Area

96.274

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4570-0037 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4570-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4570-0037?
Check Price and Availability of 4570-0037, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4570-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4570-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4570-0037
  • 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 4570-0037 available by request