D472-0465 Screening compound: N-{3-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

D472-0465 Screening compound: N-{3-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine
D472-0465 Screening compound: N-{3-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0465
N-{3-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

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

D472-0465

Molecular Formula

C20H26N6S (C20 H26 N6 S)

Compound Name

N-{3-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

IUPAC name

{3-[1112-dimethyl-4-(thiophen-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]propyl}diethylamine

SMILES

CCN(CC)CCCn(c(C)c1C)c2c1c1nc(-c3cccs3)nn1cn2

InChI

InChI=1S/C20H26N6S/c1-5-24(6-2)10-8-11-25-15(4)14(3)17-19(25)21-13-26-20(17)22-18(23-26)16-9-7-12-27-16/h7,9,12-13H,5-6,8,10-11H2,1-4H3

InChI Key

KFZUJSAWWPWQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-4.06

Polar Surface Area

36.753

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D472-0465 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0465?
Check Price and Availability of D472-0465, 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 D472-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0465
  • 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 D472-0465 available by request