D385-0186 Screening compound: 2-({1-[4-(methylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D385-0186 Screening compound: 2-({1-[4-(methylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D385-0186 Screening compound: 2-({1-[4-(methylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0186
2-({1-[4-(methylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

D385-0186

Molecular Formula

C12H17N9O2S (C12 H17 N9 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(-n(cn2)nc2SCC(N)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C12H17N9O2S/c1-14-9-16-10(20-2-4-23-5-3-20)18-11(17-9)21-7-15-12(19-21)24-6-8(13)22/h7H,2-6H2,1H3,(H2,13,22)(H,14,16,17,18)

InChI Key

XYXXWJOOHRAEBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.683

Distribution Coefficient, logD

0.681

Water Solubility, LogSw

-1.96

Polar Surface Area

107.160

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D385-0186 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D385-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0186?
Check Price and Availability of D385-0186, 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 D385-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0186
  • 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 D385-0186 available by request