D385-0111 Screening compound: methyl 2-({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D385-0111 Screening compound: methyl 2-({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D385-0111 Screening compound: methyl 2-({1-[4-methoxy-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 D385-0111
methyl 2-({1-[4-methoxy-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

D385-0111

Molecular Formula

C10H13N7O3S (C10 H13 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C10H13N7O3S/c1-11-7-13-8(15-9(14-7)20-3)17-5-12-10(16-17)21-4-6(18)19-2/h5H,4H2,1-3H3,(H,11,13,14,15)

InChI Key

ZIRJYUCBIXQMBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-2.18

Polar Surface Area

91.408

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D385-0111 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D385-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0111?
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What is the minimum amount of D385-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0111
  • 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 D385-0111 available by request