C201-1154 Screening compound: N~1~-(4-acetylphenyl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide

C201-1154 Screening compound: N~1~-(4-acetylphenyl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide
C201-1154 Screening compound: N~1~-(4-acetylphenyl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1154
N~1~-(4-acetylphenyl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-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

C201-1154

Molecular Formula

C21H19N5O2S2 (C21 H19 N5 O2 S2)

Compound Name

N~1~-(4-acetylphenyl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide

IUPAC name

N-(4-acetylphenyl)-2-{10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-5-ylsulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc2n1cnc1c2c(CCCC2)c2s1)=O)=O

InChI

InChI=1S/C21H19N5O2S2/c1-12(27)13-6-8-14(9-7-13)23-17(28)10-29-21-25-24-19-18-15-4-2-3-5-16(15)30-20(18)22-11-26(19)21/h6-9,11H,2-5,10H2,1H3,(H,23,28)

InChI Key

LMGFLCHKPYJGEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02589807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.50

Polar Surface Area

70.811

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C201-1154 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C201-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1154?
Check Price and Availability of C201-1154, 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 C201-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1154
  • 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 C201-1154 available by request