C179-0964 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

C179-0964 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide
C179-0964 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0964
2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}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

C179-0964

Molecular Formula

C27H40N6OS (C27 H40 N6 OS)

Compound Name

2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

IUPAC name

2-({6-benzyl-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

SMILES

CC(C)CN(CCCNC(CSc1nn2c(C)c(Cc3ccccc3)c(C)nc2n1)=O)CC(C)C

InChI

InChI=1S/C27H40N6OS/c1-19(2)16-32(17-20(3)4)14-10-13-28-25(34)18-35-27-30-26-29-21(5)24(22(6)33(26)31-27)15-23-11-8-7-9-12-23/h7-9,11-12,19-20H,10,13-18H2,1-6H3,(H,28,34)

InChI Key

PEMLUGWVOPFHOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-4.21

Polar Surface Area

58.101

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C179-0964 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0964?
Check Price and Availability of C179-0964, 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 C179-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0964
  • 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 C179-0964 available by request