7752-0080 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

7752-0080 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide
7752-0080 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0080
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

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

7752-0080

Molecular Formula

C25H26N6O2 (C25 H26 N6 O2)

Compound Name

N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

IUPAC name

N-[(E)-N'-(46-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

SMILES

Cc1nc(/N=C(\NCCc2c[nH]c3c2cccc3)/NC(c(cc2)ccc2OC)=O)nc(C)c1

InChI

InChI=1S/C25H26N6O2/c1-16-14-17(2)29-25(28-16)31-24(30-23(32)18-8-10-20(33-3)11-9-18)26-13-12-19-15-27-22-7-5-4-6-21(19)22/h4-11,14-15,27H,12-13H2,1-3H3,(H2,26,28,29,30,31,32)

InChI Key

CWGHGLNKYGVAKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06592013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-4.13

Polar Surface Area

78.426

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7752-0080 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 7752-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0080?
Check Price and Availability of 7752-0080, 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 7752-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0080
  • 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 7752-0080 available by request