Y500-7843 Screening compound: dimethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)terephthalate

Y500-7843 Screening compound: dimethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)terephthalate
Y500-7843 Screening compound: dimethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-7843
dimethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)terephthalate

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

Y500-7843

Molecular Formula

C18H15F2N5O5 (C18 H15 F2 N5 O5)

Compound Name

dimethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)terephthalate

IUPAC name

14-dimethyl 2-[7-(difluoromethyl)-5-methyl-[124]triazolo[15-a]pyrimidine-2-amido]benzene-14-dicarboxylate

SMILES

Cc1nc2nc(C(Nc(cc(cc3)C(OC)=O)c3C(OC)=O)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C18H15F2N5O5/c1-8-6-12(13(19)20)25-18(21-8)23-14(24-25)15(26)22-11-7-9(16(27)29-2)4-5-10(11)17(28)30-3/h4-7,13H,1-3H3,(H,22,26)

InChI Key

ORIQSZOZQZHTFR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.871

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-2.53

Polar Surface Area

94.600

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y500-7843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-7843?
Check Price and Availability of Y500-7843, 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 Y500-7843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-7843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-7843
  • 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 Y500-7843 available by request