D571-0019 Screening compound: N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1,2-dihydroacenaphthylene-3-sulfonamide

D571-0019 Screening compound: N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1,2-dihydroacenaphthylene-3-sulfonamide
D571-0019 Screening compound: N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1,2-dihydroacenaphthylene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D571-0019
N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1,2-dihydroacenaphthylene-3-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

D571-0019

Molecular Formula

C27H29N5O2S (C27 H29 N5 O2 S)

Compound Name

N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1,2-dihydroacenaphthylene-3-sulfonamide

IUPAC name

N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-12-dihydroacenaphthylene-3-sulfonamide

SMILES

CCN(CC)c1cc(Nc(cc2)ccc2NS(c2c(CC3)c4c3cccc4cc2)(=O)=O)nc(C)n1

InChI

InChI=1S/C27H29N5O2S/c1-4-32(5-2)26-17-25(28-18(3)29-26)30-21-11-13-22(14-12-21)31-35(33,34)24-16-10-20-8-6-7-19-9-15-23(24)27(19)20/h6-8,10-14,16-17,31H,4-5,9,15H2,1-3H3,(H,28,29,30)

InChI Key

GKVFJXODUJKTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.445

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-6.63

Polar Surface Area

70.766

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

D571-0019 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D571-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D571-0019?
Check Price and Availability of D571-0019, 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 D571-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D571-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D571-0019
  • 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 D571-0019 available by request