D684-0048 Screening compound: methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D684-0048 Screening compound: methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D684-0048 Screening compound: methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0048
methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-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

D684-0048

Molecular Formula

C12H18N8O2S (C12 H18 N8 O2 S)

Compound Name

methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

IUPAC name

methyl 2-({1-[4-(methylamino)-6-[(propan-2-yl)amino]-135-triazin-2-yl]-1H-124-triazol-3-yl}sulfanyl)acetate

SMILES

CC(C)Nc1nc(NC)nc(-n(cn2)nc2SCC(OC)=O)n1

InChI

InChI=1S/C12H18N8O2S/c1-7(2)15-10-16-9(13-3)17-11(18-10)20-6-14-12(19-20)23-5-8(21)22-4/h6-7H,5H2,1-4H3,(H2,13,15,16,17,18)

InChI Key

XNFVKHJXRVLIQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-2.32

Polar Surface Area

94.677

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D684-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0048?
Check Price and Availability of D684-0048, 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 D684-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0048
  • 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 D684-0048 available by request