C301-7694 Screening compound: methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)benzoate

C301-7694 Screening compound: methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)benzoate
C301-7694 Screening compound: methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7694
methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)benzoate

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

C301-7694

Molecular Formula

C21H18N6O4 (C21 H18 N6 O4)

Compound Name

methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)benzoate

IUPAC name

methyl 4-(5-{[4-(methoxycarbonyl)phenyl]amino}-7-methyl-3H-[123]triazolo[45-d]pyrimidin-3-yl)benzoate

SMILES

Cc(nc(Nc(cc1)ccc1C(OC)=O)nc12)c2nnn1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C21H18N6O4/c1-12-17-18(27(26-25-17)16-10-6-14(7-11-16)20(29)31-3)24-21(22-12)23-15-8-4-13(5-9-15)19(28)30-2/h4-11H,1-3H3,(H,22,23,24)

InChI Key

QKMCKHGFPHSEDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.22

Polar Surface Area

98.972

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C301-7694 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-7694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7694?
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What is the minimum amount of C301-7694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7694
  • 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 C301-7694 available by request