F989-0232 Screening compound: methyl 3-[2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-carboxylate

F989-0232 Screening compound: methyl 3-[2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-carboxylate
F989-0232 Screening compound: methyl 3-[2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F989-0232
methyl 3-[2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-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

F989-0232

Molecular Formula

C18H15N5O3S2 (C18 H15 N5 O3 S2)

Compound Name

methyl 3-[2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-carboxylate

IUPAC name

methyl 3-[2-({1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}sulfanyl)acetamido]thiophene-2-carboxylate

SMILES

Cc1nnc2n1c(cccc1)c1nc2SCC(Nc1c(C(OC)=O)scc1)=O

InChI

InChI=1S/C18H15N5O3S2/c1-10-21-22-16-17(20-11-5-3-4-6-13(11)23(10)16)28-9-14(24)19-12-7-8-27-15(12)18(25)26-2/h3-8H,9H2,1-2H3,(H,19,24)

InChI Key

LIPCQEZNEJNVHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.62

Polar Surface Area

75.201

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F989-0232 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 F989-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F989-0232?
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What is the minimum amount of F989-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F989-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F989-0232
  • 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 F989-0232 available by request