D205-0108 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4,5-trimethoxybenzamide

D205-0108 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4,5-trimethoxybenzamide
D205-0108 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0108
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4,5-trimethoxybenzamide

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

D205-0108

Molecular Formula

C17H18ClN5O4 (C17 H18 ClN5 O4)

Compound Name

N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4,5-trimethoxybenzamide

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-345-trimethoxybenzamide

SMILES

Cc(n1nc(NC(c(cc2OC)cc(OC)c2OC)=O)nc1nc1C)c1Cl

InChI

InChI=1S/C17H18ClN5O4/c1-8-13(18)9(2)23-17(19-8)21-16(22-23)20-15(24)10-6-11(25-3)14(27-5)12(7-10)26-4/h6-7H,1-5H3,(H,20,22,24)

InChI Key

GUJOAKQZQASPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-3.64

Polar Surface Area

78.579

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D205-0108 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D205-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0108?
Check Price and Availability of D205-0108, 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 D205-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0108
  • 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 D205-0108 available by request