D684-0093 Screening compound: methyl 2-({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate

D684-0093 Screening compound: methyl 2-({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
D684-0093 Screening compound: methyl 2-({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0093
methyl 2-({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-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

D684-0093

Molecular Formula

C13H18N8O2S (C13 H18 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(-n(cn2)nc2SCC(OC)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C13H18N8O2S/c1-14-10-16-11(20-5-3-4-6-20)18-12(17-10)21-8-15-13(19-21)24-7-9(22)23-2/h8H,3-7H2,1-2H3,(H,14,16,17,18)

InChI Key

SNMSFKNKNIFNIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.40

Polar Surface Area

86.808

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with D684-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0093?
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What is the minimum amount of D684-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0093
  • 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 D684-0093 available by request