K832-3702 Screening compound: methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

K832-3702 Screening compound: methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
K832-3702 Screening compound: methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3702
methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

K832-3702

Molecular Formula

C15H15N5O5 (C15 H15 N5 O5)

Compound Name

methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

COCC(Nc1ncnn1C1c2cccc([N+]([O-])=O)c2)=C1C(OC)=O

InChI

InChI=1S/C15H15N5O5/c1-24-7-11-12(14(21)25-2)13(19-15(18-11)16-8-17-19)9-4-3-5-10(6-9)20(22)23/h3-6,8,13H,7H2,1-2H3,(H,16,17,18)/t13-/m0/s1

InChI Key

JMLSIIAHPHXRLO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15110146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-2.27

Polar Surface Area

101.576

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

K832-3702 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 K832-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3702?
Check Price and Availability of K832-3702, 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 K832-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3702
  • 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 K832-3702 available by request