D385-0361 Screening compound: ethyl 2-[(1-{4-[(butan-2-yl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate

D385-0361 Screening compound: ethyl 2-[(1-{4-[(butan-2-yl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
D385-0361 Screening compound: ethyl 2-[(1-{4-[(butan-2-yl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0361
ethyl 2-[(1-{4-[(butan-2-yl)amino]-6-(dimethylamino)-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

D385-0361

Molecular Formula

C15H24N8O2S (C15 H24 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)Nc1nc(-n(cn2)nc2SCC(OCC)=O)nc(N(C)C)n1

InChI

InChI=1S/C15H24N8O2S/c1-6-10(3)17-12-18-13(22(4)5)20-14(19-12)23-9-16-15(21-23)26-8-11(24)25-7-2/h9-10H,6-8H2,1-5H3,(H,17,18,19,20)/t10-/m0/s1

InChI Key

MDKZBWTUFYOYPP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27582708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

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

3.280

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.63

Polar Surface Area

84.665

Acid Dissociation Constant (pKa)

15.83

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with D385-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0361?
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What is the minimum amount of D385-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0361
  • 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 D385-0361 available by request