6456-0022 Screening compound: (Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-1-carboximidamide

6456-0022 Screening compound: (Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-1-carboximidamide
6456-0022 Screening compound: (Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0022
(Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-1-carboximidamide

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

6456-0022

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

(Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-1-carboximidamide

IUPAC name

(Z)-N-(46-dimethylpyrimidin-2-yl)-N'-(4-methylbenzenesulfonyl)-23-dihydro-1H-indole-1-carboximidamide

SMILES

Cc(cc1)ccc1S(/N=C(/Nc1nc(C)cc(C)n1)\N(CC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C22H23N5O2S/c1-15-8-10-19(11-9-15)30(28,29)26-22(25-21-23-16(2)14-17(3)24-21)27-13-12-18-6-4-5-7-20(18)27/h4-11,14H,12-13H2,1-3H3,(H,23,24,25,26)

InChI Key

GHDQJIHWOUHCRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.17

Polar Surface Area

69.793

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6456-0022 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6456-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0022?
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What is the minimum amount of 6456-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0022
  • 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 6456-0022 available by request