8010-3303 Screening compound: ethyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

8010-3303 Screening compound: ethyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
8010-3303 Screening compound: ethyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3303
ethyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydrothieno[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

8010-3303

Molecular Formula

C25H26N6O3S2 (C25 H26 N6 O3 S2)

Compound Name

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

IUPAC name

ethyl 6-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamido)-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(c(cccc3)c3n3CC=C)c3n2)=O)sc2c1CCN(C)C2)=O

InChI

InChI=1S/C25H26N6O3S2/c1-4-11-31-17-9-7-6-8-15(17)21-22(31)27-25(29-28-21)35-14-19(32)26-23-20(24(33)34-5-2)16-10-12-30(3)13-18(16)36-23/h4,6-9H,1,5,10-14H2,2-3H3,(H,26,32)

InChI Key

LXGBTZVHSYUNNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-4.15

Polar Surface Area

79.985

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

8010-3303 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 8010-3303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3303?
Check Price and Availability of 8010-3303, 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 8010-3303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3303
  • 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 8010-3303 available by request