C656-0609 Screening compound: methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate

C656-0609 Screening compound: methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate
C656-0609 Screening compound: methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0609
methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate

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

C656-0609

Molecular Formula

C16H17N5O4 (C16 H17 N5 O4)

Compound Name

methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate

IUPAC name

methyl 2-[3-(3-methoxyphenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]butanoate

SMILES

CCC(C(OC)=O)N(C=Nc1c2nnn1-c1cc(OC)ccc1)C2=O

InChI

InChI=1S/C16H17N5O4/c1-4-12(16(23)25-3)20-9-17-14-13(15(20)22)18-19-21(14)10-6-5-7-11(8-10)24-2/h5-9,12H,4H2,1-3H3/t12-/m0/s1

InChI Key

DBMWLRWGSWDJMU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04471202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.590

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-1.99

Polar Surface Area

81.238

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C656-0609 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C656-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0609?
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What is the minimum amount of C656-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0609
  • 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 C656-0609 available by request