3448-4045 Screening compound: ethyl 2-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

3448-4045 Screening compound: ethyl 2-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
3448-4045 Screening compound: ethyl 2-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4045
ethyl 2-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-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

3448-4045

Molecular Formula

C24H26N6O3S2 (C24 H26 N6 O3 S2)

Compound Name

ethyl 2-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC name

ethyl 2-[2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamido]-6-methyl-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CCn1c2nc(SCC(Nc3c(C(OCC)=O)c(CCN(C)C4)c4s3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C24H26N6O3S2/c1-4-30-16-9-7-6-8-14(16)20-21(30)26-24(28-27-20)34-13-18(31)25-22-19(23(32)33-5-2)15-10-11-29(3)12-17(15)35-22/h6-9H,4-5,10-13H2,1-3H3,(H,25,31)

InChI Key

LWFKKXOKDFDCCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02208003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-3.90

Polar Surface Area

79.731

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3448-4045 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4045?
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What is the minimum amount of 3448-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4045
  • 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 3448-4045 available by request