D068-0016 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide

D068-0016 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
D068-0016 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0016
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide

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

D068-0016

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cccc1)c1OC)=O)Sc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2

InChI

InChI=1S/C26H29N3O3S/c1-16-10-12-18(13-11-16)23-27-21-14-26(3,4)32-15-19(21)25(29-23)33-17(2)24(30)28-20-8-6-7-9-22(20)31-5/h6-13,17H,14-15H2,1-5H3,(H,28,30)/t17-/m0/s1

InChI Key

SSICYFCGLBBCKU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04032037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

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

6.573

Distribution Coefficient, logD

6.572

Water Solubility, LogSw

-5.78

Polar Surface Area

57.812

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.62

D068-0016 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D068-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0016?
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What is the minimum amount of D068-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0016
  • 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 D068-0016 available by request