C795-0446 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide

C795-0446 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide
C795-0446 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0446
N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide

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

C795-0446

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-methyl-2-oxo-2H6H-pyrimido[12-b]indazol-6-yl}acetamide

SMILES

CCN(CCCNC(CN(c(cccc1)c1C1=N2)N1C(C)=CC2=O)=O)Cc1ccccc1

InChI

InChI=1S/C25H29N5O2/c1-3-28(17-20-10-5-4-6-11-20)15-9-14-26-24(32)18-29-22-13-8-7-12-21(22)25-27-23(31)16-19(2)30(25)29/h4-8,10-13,16H,3,9,14-15,17-18H2,1-2H3,(H,26,32)

InChI Key

GPMYIJGGORUGRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-2.91

Polar Surface Area

54.638

Acid Dissociation Constant (pKa)

16.01

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C795-0446 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C795-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0446?
Check Price and Availability of C795-0446, 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 C795-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0446
  • 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 C795-0446 available by request