7752-0074 Screening compound: 2-amino-N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

7752-0074 Screening compound: 2-amino-N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
7752-0074 Screening compound: 2-amino-N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0074
2-amino-N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

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

7752-0074

Molecular Formula

C24H25N7O (C24 H25 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(/N=C(\NCCc2c[nH]c3c2cccc3)/NC(c(cccc2)c2N)=O)nc(C)c1

InChI

InChI=1S/C24H25N7O/c1-15-13-16(2)29-24(28-15)31-23(30-22(32)19-8-3-5-9-20(19)25)26-12-11-17-14-27-21-10-6-4-7-18(17)21/h3-10,13-14,27H,11-12,25H2,1-2H3,(H2,26,28,29,30,31,32)

InChI Key

NBCXZCKQRAKXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-3.36

Polar Surface Area

90.978

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7752-0074 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 7752-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0074?
Check Price and Availability of 7752-0074, 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 7752-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0074
  • 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 7752-0074 available by request