K785-0117 Screening compound: N-(butan-2-yl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

K785-0117 Screening compound: N-(butan-2-yl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
K785-0117 Screening compound: N-(butan-2-yl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K785-0117
N-(butan-2-yl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

K785-0117

Molecular Formula

C21H26N4O (C21 H26 N4 O)

Compound Name

N-(butan-2-yl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(butan-2-yl)-57-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CCC(C)NC(c1c2nc(C)c(Cc3c(C)cccc3)c(C)n2nc1)=O

InChI

InChI=1S/C21H26N4O/c1-6-14(3)23-21(26)19-12-22-25-16(5)18(15(4)24-20(19)25)11-17-10-8-7-9-13(17)2/h7-10,12,14H,6,11H2,1-5H3,(H,23,26)/t14-/m0/s1

InChI Key

MCPLEPKOHXANDD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15099540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.14

Polar Surface Area

44.617

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K785-0117 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K785-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K785-0117?
Check Price and Availability of K785-0117, 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 K785-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K785-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K785-0117
  • 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 K785-0117 available by request