D385-0150 Screening compound: ethyl 2-({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D385-0150 Screening compound: ethyl 2-({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D385-0150 Screening compound: ethyl 2-({1-[4-(diethylamino)-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 D385-0150
ethyl 2-({1-[4-(diethylamino)-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

D385-0150

Molecular Formula

C14H22N8O2S (C14 H22 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1nc(NC)nc(-n(cn2)nc2SCC(OCC)=O)n1

InChI

InChI=1S/C14H22N8O2S/c1-5-21(6-2)12-17-11(15-4)18-13(19-12)22-9-16-14(20-22)25-8-10(23)24-7-3/h9H,5-8H2,1-4H3,(H,15,17,18,19)

InChI Key

BIBBZLSKZMNWCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.182

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.33

Polar Surface Area

85.306

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with D385-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0150?
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What is the minimum amount of D385-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0150
  • 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 D385-0150 available by request