C200-7162 Screening compound: 1-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(3,4-diethoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C200-7162 Screening compound: 1-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(3,4-diethoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
C200-7162 Screening compound: 1-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(3,4-diethoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7162
1-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(3,4-diethoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

C200-7162

Molecular Formula

C25H22ClFN4O3S2 (C25 H22 ClFN4 O3 S2)

Compound Name

1-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(3,4-diethoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8-[(34-diethoxyphenyl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCOc(ccc(CN(c(n1-c2c3scc2)nnc1SCc(c(F)ccc1)c1Cl)C3=O)c1)c1OCC

InChI

InChI=1S/C25H22ClFN4O3S2/c1-3-33-20-9-8-15(12-21(20)34-4-2)13-30-23(32)22-19(10-11-35-22)31-24(30)28-29-25(31)36-14-16-17(26)6-5-7-18(16)27/h5-12H,3-4,13-14H2,1-2H3

InChI Key

DPNZZDWWERCEEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.89

Polar Surface Area

54.751

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C200-7162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7162?
Check Price and Availability of C200-7162, 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 C200-7162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7162
  • 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 C200-7162 available by request