6213-0025 Screening compound: methyl 2-{[4-(sec-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate

6213-0025 Screening compound: methyl 2-{[4-(sec-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
6213-0025 Screening compound: methyl 2-{[4-(sec-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6213-0025
methyl 2-{[4-(sec-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate

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

6213-0025

Molecular Formula

C12H21N5O2S (C12 H21 N5 O2 S)

Compound Name

methyl 2-{[4-(sec-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate

IUPAC name

n/a

SMILES

CCC(C)Nc1nc(SCC(OC)=O)nc(N(C)C)n1

InChI

InChI=1S/C12H21N5O2S/c1-6-8(2)13-10-14-11(17(3)4)16-12(15-10)20-7-9(18)19-5/h8H,6-7H2,1-5H3,(H,13,14,15,16)/t8-/m0/s1

InChI Key

CKXGAEVBLOPBOH-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD08068426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.701

Water Solubility, LogSw

-2.95

Polar Surface Area

62.219

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

6213-0025 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6213-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6213-0025?
Check Price and Availability of 6213-0025, 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 6213-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6213-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6213-0025
  • 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 6213-0025 available by request