7752-0076 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]furan-2-carboxamide

7752-0076 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]furan-2-carboxamide
7752-0076 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0076
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]furan-2-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

7752-0076

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(/N=C(\NCCc2c[nH]c3c2cccc3)/NC(c2ccco2)=O)nc(C)c1

InChI

InChI=1S/C22H22N6O2/c1-14-12-15(2)26-22(25-14)28-21(27-20(29)19-8-5-11-30-19)23-10-9-16-13-24-18-7-4-3-6-17(16)18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,23,25,26,27,28,29)

InChI Key

QWMMYDYTKDDDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06606671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

1.058

Water Solubility, LogSw

-3.24

Polar Surface Area

79.460

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7752-0076 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7752-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0076?
Check Price and Availability of 7752-0076, 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 7752-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0076
  • 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 7752-0076 available by request