D578-0208 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide

D578-0208 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide
D578-0208 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0208
N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)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

D578-0208

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide

SMILES

CCNc1nc(C)cc(Nc(cc2)ccc2NS(c2c(C)ccc(C(C)C)c2)(=O)=O)n1

InChI

InChI=1S/C23H29N5O2S/c1-6-24-23-25-17(5)13-22(27-23)26-19-9-11-20(12-10-19)28-31(29,30)21-14-18(15(2)3)8-7-16(21)4/h7-15,28H,6H2,1-5H3,(H2,24,25,26,27)

InChI Key

SYKCLBZWDGMPTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

4.649

Water Solubility, LogSw

-5.48

Polar Surface Area

80.011

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D578-0208 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with D578-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0208?
Check Price and Availability of D578-0208, 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 D578-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0208
  • 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 D578-0208 available by request