D205-0104 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide

D205-0104 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide
D205-0104 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0104
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide

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

D205-0104

Molecular Formula

C14H11ClFN5O (C14 H11 ClFN5 O)

Compound Name

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

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-4-fluorobenzamide

SMILES

Cc(n1nc(NC(c(cc2)ccc2F)=O)nc1nc1C)c1Cl

InChI

InChI=1S/C14H11ClFN5O/c1-7-11(15)8(2)21-14(17-7)19-13(20-21)18-12(22)9-3-5-10(16)6-4-9/h3-6H,1-2H3,(H,18,20,22)

InChI Key

HVIMKSQFNPDEJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.73

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

2.422

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-3.65

Polar Surface Area

55.601

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D205-0104 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D205-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0104?
Check Price and Availability of D205-0104, 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 D205-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0104
  • 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 D205-0104 available by request