C179-0807 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]acetamide

C179-0807 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]acetamide
C179-0807 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0807
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]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

C179-0807

Molecular Formula

C22H28ClFN6OS (C22 H28 ClFN6 OS)

Compound Name

2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]acetamide

IUPAC name

2-({6-[(2-chloro-6-fluorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[2-(diethylamino)ethyl]acetamide

SMILES

CCN(CC)CCNC(CSc1nn2c(C)c(Cc(c(F)ccc3)c3Cl)c(C)nc2n1)=O

InChI

InChI=1S/C22H28ClFN6OS/c1-5-29(6-2)11-10-25-20(31)13-32-22-27-21-26-14(3)16(15(4)30(21)28-22)12-17-18(23)8-7-9-19(17)24/h7-9H,5-6,10-13H2,1-4H3,(H,25,31)

InChI Key

CJWFCIUMMWOFLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-3.72

Polar Surface Area

57.551

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C179-0807 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0807?
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What is the minimum amount of C179-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0807
  • 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 C179-0807 available by request