8013-6238 Screening compound: 1-{1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone

8013-6238 Screening compound: 1-{1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-1-ethanone
8013-6238 Screening compound: 1-{1-[4-(dimethylamino)-6-methoxy-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 8013-6238
1-{1-[4-(dimethylamino)-6-methoxy-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

8013-6238

Molecular Formula

C11H15N7O2 (C11 H15 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c(C)n(-c2nc(OC)nc(N(C)C)n2)nn1)=O

InChI

InChI=1S/C11H15N7O2/c1-6-8(7(2)19)15-16-18(6)10-12-9(17(3)4)13-11(14-10)20-5/h1-5H3

InChI Key

NOYKGIGZGBSKIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-1.26

Polar Surface Area

78.778

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8013-6238 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-6238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6238?
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What is the minimum amount of 8013-6238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6238
  • 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 8013-6238 available by request