D112-0095 Screening compound: 1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine

D112-0095 Screening compound: 1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine
D112-0095 Screening compound: 1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0095
1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine

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

D112-0095

Molecular Formula

C16H16Cl2N6 (C16 H16 Cl2 N6)

Compound Name

1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine

IUPAC name

1-{5-[(24-dichlorophenyl)methyl]-3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}pyrrolidine

SMILES

Cn1nnc2c(N3CCCC3)nc(Cc(ccc(Cl)c3)c3Cl)nc12

InChI

InChI=1S/C16H16Cl2N6/c1-23-15-14(21-22-23)16(24-6-2-3-7-24)20-13(19-15)8-10-4-5-11(17)9-12(10)18/h4-5,9H,2-3,6-8H2,1H3

InChI Key

HFICJYCBZVXDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.34

Polar Surface Area

50.893

Acid Dissociation Constant (pKa)

20.64

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D112-0095 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D112-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0095?
Check Price and Availability of D112-0095, 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 D112-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0095
  • 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 D112-0095 available by request