5132-1174 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide

5132-1174 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
5132-1174 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5132-1174
N-(2,6-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide

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

5132-1174

Molecular Formula

C22H21N5O5S (C22 H21 N5 O5 S)

Compound Name

N-(2,6-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide

IUPAC name

N-(26-dimethoxypyrimidin-4-yl)-4-({[(3E)-1-methyl-2-oxo-23-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide

SMILES

CN(c(cccc1)c1/C1=C\Nc(cc2)ccc2S(Nc2nc(OC)nc(OC)c2)(=O)=O)C1=O

InChI

InChI=1S/C22H21N5O5S/c1-27-18-7-5-4-6-16(18)17(21(27)28)13-23-14-8-10-15(11-9-14)33(29,30)26-19-12-20(31-2)25-22(24-19)32-3/h4-13,23H,1-3H3,(H,24,25,26)

InChI Key

QMBAHOIOGVYYED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

-0.352

Water Solubility, LogSw

-3.76

Polar Surface Area

101.651

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5132-1174 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 5132-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5132-1174?
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What is the minimum amount of 5132-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5132-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5132-1174
  • 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 5132-1174 available by request