D179-0089 Screening compound: ethyl 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino}-4-methyl-1,3-thiazole-5-carboxylate

D179-0089 Screening compound: ethyl 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino}-4-methyl-1,3-thiazole-5-carboxylate
D179-0089 Screening compound: ethyl 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0089
ethyl 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino}-4-methyl-1,3-thiazole-5-carboxylate

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

D179-0089

Molecular Formula

C14H21N7O2S (C14 H21 N7 O2 S)

Compound Name

ethyl 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-{[46-bis(ethylamino)-135-triazin-2-yl]amino}-4-methyl-13-thiazole-5-carboxylate

SMILES

CCNc1nc(Nc2nc(C)c(C(OCC)=O)s2)nc(NCC)n1

InChI

InChI=1S/C14H21N7O2S/c1-5-15-11-18-12(16-6-2)20-13(19-11)21-14-17-8(4)9(24-14)10(22)23-7-3/h5-7H2,1-4H3,(H3,15,16,17,18,19,20,21)

InChI Key

BQBLVOJWSSOMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03001006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-3.87

Polar Surface Area

94.061

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D179-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0089?
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What is the minimum amount of D179-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0089
  • 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 D179-0089 available by request