D068-0017 Screening compound: N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide

D068-0017 Screening compound: N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
D068-0017 Screening compound: N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0017
N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide

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

D068-0017

Molecular Formula

C24H24ClN3O3S (C24 H24 ClN3 O3 S)

Compound Name

N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-77-dimethyl-5H7H8H-pyrano[43-d]pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CC(C)(C1)OCc2c1nc(-c(cc1)ccc1OC)nc2SCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H24ClN3O3S/c1-24(2)12-20-19(13-31-24)23(28-22(27-20)15-4-10-18(30-3)11-5-15)32-14-21(29)26-17-8-6-16(25)7-9-17/h4-11H,12-14H2,1-3H3,(H,26,29)

InChI Key

KLXINAFVRMUWLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04030312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.214

Distribution Coefficient, logD

6.214

Water Solubility, LogSw

-6.29

Polar Surface Area

58.210

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D068-0017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D068-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0017?
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What is the minimum amount of D068-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0017
  • 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 D068-0017 available by request