D578-0046 Screening compound: 4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D578-0046 Screening compound: 4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D578-0046 Screening compound: 4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0046
4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)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

D578-0046

Molecular Formula

C21H22ClN5O2S (C21 H22 ClN5 O2 S)

Compound Name

4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc2)ccc2Cl)(=O)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C21H22ClN5O2S/c1-15-14-20(25-21(23-15)27-12-2-3-13-27)24-17-6-8-18(9-7-17)26-30(28,29)19-10-4-16(22)5-11-19/h4-11,14,26H,2-3,12-13H2,1H3,(H,23,24,25)

InChI Key

JVLULMXWOKNDAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.359

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-5.89

Polar Surface Area

71.491

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D578-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0046?
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What is the minimum amount of D578-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0046
  • 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 D578-0046 available by request