F815-0373 Screening compound: methyl 2-({2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

F815-0373 Screening compound: methyl 2-({2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
F815-0373 Screening compound: methyl 2-({2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0373
methyl 2-({2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

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

F815-0373

Molecular Formula

C21H19N5O4S (C21 H19 N5 O4 S)

Compound Name

methyl 2-({2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-(2-{5-oxo-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2711(16)-tetraen-4-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=C(c2c(N=C3)sc4c2CCCC4)N3C1=O)=O)=O

InChI

InChI=1S/C21H19N5O4S/c1-30-20(28)12-6-2-4-8-14(12)23-16(27)10-26-21(29)25-11-22-19-17(18(25)24-26)13-7-3-5-9-15(13)31-19/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,23,27)

InChI Key

HZOXCMRKUXIHKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.43

Polar Surface Area

85.136

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with F815-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0373?
Check Price and Availability of F815-0373, 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 F815-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0373
  • 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 F815-0373 available by request