D068-0008 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide

D068-0008 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide
D068-0008 Screening compound: 2-{[7,7-dimethyl-2-(4-methylphenyl)-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0008
2-{[7,7-dimethyl-2-(4-methylphenyl)-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)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

D068-0008

Molecular Formula

C26H29N3O2S (C26 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1ccc(C)cc1)=O)Sc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2

InChI

InChI=1S/C26H29N3O2S/c1-16-6-10-19(11-7-16)23-28-22-14-26(4,5)31-15-21(22)25(29-23)32-18(3)24(30)27-20-12-8-17(2)9-13-20/h6-13,18H,14-15H2,1-5H3,(H,27,30)/t18-/m0/s1

InChI Key

ZOPNLERRDCKIOX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04024590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.945

Distribution Coefficient, logD

6.944

Water Solubility, LogSw

-5.64

Polar Surface Area

50.879

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D068-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0008?
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What is the minimum amount of D068-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0008
  • 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 D068-0008 available by request