D112-0112 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

D112-0112 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
D112-0112 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0112
5-[(2,4-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

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

D112-0112

Molecular Formula

C23H21Cl2N7O (C23 H21 Cl2 N7 O)

Compound Name

5-[(2,4-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

IUPAC name

5-[(24-dichlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-amine

SMILES

Cn1nnc2c(NCCc3c[nH]c(cc4)c3cc4OC)nc(Cc(ccc(Cl)c3)c3Cl)nc12

InChI

InChI=1S/C23H21Cl2N7O/c1-32-23-21(30-31-32)22(28-20(29-23)9-13-3-4-15(24)10-18(13)25)26-8-7-14-12-27-19-6-5-16(33-2)11-17(14)19/h3-6,10-12,27H,7-9H2,1-2H3,(H,26,28,29)

InChI Key

IMQFQWONKHLYOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.75

Polar Surface Area

75.272

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D112-0112 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D112-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0112?
Check Price and Availability of D112-0112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D112-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0112
  • 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 D112-0112 available by request