3379-0697 Screening compound: methyl 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanoate

3379-0697 Screening compound: methyl 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanoate
3379-0697 Screening compound: methyl 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0697
methyl 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanoate

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

3379-0697

Molecular Formula

C12H19N7O2 (C12 H19 N7 O2)

Compound Name

methyl 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanoate

IUPAC name

methyl 2-{[46-bis(dimethylamino)-135-triazin-2-yl](cyano)amino}propanoate

SMILES

CC(C(OC)=O)N(c1nc(N(C)C)nc(N(C)C)n1)C#N

InChI

InChI=1S/C12H19N7O2/c1-8(9(20)21-6)19(7-13)12-15-10(17(2)3)14-11(16-12)18(4)5/h8H,1-6H3/t8-/m0/s1

InChI Key

VGSCFWYKEUVVHX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00415358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-1.83

Polar Surface Area

71.242

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

3379-0697 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3379-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0697?
Check Price and Availability of 3379-0697, 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 3379-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0697
  • 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 3379-0697 available by request