D385-0125 Screening compound: methyl 2-({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D385-0125 Screening compound: methyl 2-({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D385-0125 Screening compound: methyl 2-({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0125
methyl 2-({1-[4-(dimethylamino)-6-(methylamino)-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

D385-0125

Molecular Formula

C11H16N8O2S (C11 H16 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(-n(cn2)nc2SCC(OC)=O)nc(N(C)C)n1

InChI

InChI=1S/C11H16N8O2S/c1-12-8-14-9(18(2)3)16-10(15-8)19-6-13-11(17-19)22-5-7(20)21-4/h6H,5H2,1-4H3,(H,12,14,15,16)

InChI Key

FWIHRWZACRFXKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.34

Polar Surface Area

85.795

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D385-0125 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D385-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0125?
Check Price and Availability of D385-0125, 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 D385-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0125
  • 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 D385-0125 available by request