D205-0066 Screening compound: 2-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D205-0066 Screening compound: 2-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D205-0066 Screening compound: 2-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0066
2-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

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

D205-0066

Molecular Formula

C14H12ClN5O (C14 H12 ClN5 O)

Compound Name

2-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

2-chloro-N-{57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

Cc1cc(C)nc2nc(NC(c(cccc3)c3Cl)=O)nn12

InChI

InChI=1S/C14H12ClN5O/c1-8-7-9(2)20-14(16-8)18-13(19-20)17-12(21)10-5-3-4-6-11(10)15/h3-7H,1-2H3,(H,17,19,21)

InChI Key

CPDLKCPKVHXNNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-3.22

Polar Surface Area

55.055

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D205-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D205-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0066?
Check Price and Availability of D205-0066, 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 D205-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0066
  • 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 D205-0066 available by request