4570-0042 Screening compound: N-(1,3,4-thiadiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

4570-0042 Screening compound: N-(1,3,4-thiadiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide
4570-0042 Screening compound: N-(1,3,4-thiadiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4570-0042
N-(1,3,4-thiadiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}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

4570-0042

Molecular Formula

C13H9N7OS2 (C13 H9 N7 OS2)

Compound Name

N-(1,3,4-thiadiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

IUPAC name

N-(134-thiadiazol-2-yl)-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1nncs1

InChI

InChI=1S/C13H9N7OS2/c21-9(16-12-19-14-6-23-12)5-22-13-17-11-10(18-20-13)7-3-1-2-4-8(7)15-11/h1-4,6H,5H2,(H,15,17,20)(H,16,19,21)

InChI Key

INMGDXSWCRRIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.203

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.33

Polar Surface Area

88.259

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4570-0042 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4570-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4570-0042?
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What is the minimum amount of 4570-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4570-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4570-0042
  • 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 4570-0042 available by request