F815-0383 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

F815-0383 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
F815-0383 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0383
N~1~-(3,4-dimethylphenyl)-2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]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

F815-0383

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N~1~-(3,4-dimethylphenyl)-2-[3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{5-oxo-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2711(16)-tetraen-4-yl}acetamide

SMILES

Cc(cc1)c(C)cc1NC(CN1N=C(c2c(N=C3)sc4c2CCCC4)N3C1=O)=O

InChI

InChI=1S/C21H21N5O2S/c1-12-7-8-14(9-13(12)2)23-17(27)10-26-21(28)25-11-22-20-18(19(25)24-26)15-5-3-4-6-16(15)29-20/h7-9,11H,3-6,10H2,1-2H3,(H,23,27)

InChI Key

NHKNVDVSJVXLNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.46

Polar Surface Area

64.660

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F815-0383 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F815-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0383?
Check Price and Availability of F815-0383, 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 F815-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0383
  • 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 F815-0383 available by request