8017-9845 Screening compound: 1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone

8017-9845 Screening compound: 1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone
8017-9845 Screening compound: 1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9845
1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone

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

8017-9845

Molecular Formula

C16H20N8O (C16 H20 N8 O)

Compound Name

1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone

IUPAC name

1-{1-[4-(diethylamino)-6-(1H-pyrrol-1-yl)-135-triazin-2-yl]-5-methyl-1H-123-triazol-4-yl}ethan-1-one

SMILES

CCN(CC)c1nc(-n2nnc(C(C)=O)c2C)nc(-n2cccc2)n1

InChI

InChI=1S/C16H20N8O/c1-5-22(6-2)14-17-15(23-9-7-8-10-23)19-16(18-14)24-11(3)13(12(4)25)20-21-24/h7-10H,5-6H2,1-4H3

InChI Key

CHDYXIGTPCGUBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.49

Polar Surface Area

74.277

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8017-9845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9845?
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What is the minimum amount of 8017-9845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9845
  • 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 8017-9845 available by request