D385-0134 Screening compound: methyl 2-({1-[4-(cyclopropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D385-0134 Screening compound: methyl 2-({1-[4-(cyclopropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D385-0134 Screening compound: methyl 2-({1-[4-(cyclopropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0134
methyl 2-({1-[4-(cyclopropylamino)-6-(ethylamino)-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

D385-0134

Molecular Formula

C13H18N8O2S (C13 H18 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(-n(cn2)nc2SCC(OC)=O)nc(NC2CC2)n1

InChI

InChI=1S/C13H18N8O2S/c1-3-14-10-17-11(16-8-4-5-8)19-12(18-10)21-7-15-13(20-21)24-6-9(22)23-2/h7-8H,3-6H2,1-2H3,(H2,14,16,17,18,19)

InChI Key

UCDSGVJLGDUWQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.37

Polar Surface Area

94.963

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with D385-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0134?
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What is the minimum amount of D385-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0134
  • 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 D385-0134 available by request