D068-0007 Screening compound: N-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}propanamide

D068-0007 Screening compound: N-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}propanamide
D068-0007 Screening compound: N-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0007
N-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}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

D068-0007

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cc1)ccc1OC)=O)Sc1nc(-c(cc2)ccc2OC)nc2c1COC(C)(C)C2

InChI

InChI=1S/C26H29N3O4S/c1-16(24(30)27-18-8-12-20(32-5)13-9-18)34-25-21-15-33-26(2,3)14-22(21)28-23(29-25)17-6-10-19(31-4)11-7-17/h6-13,16H,14-15H2,1-5H3,(H,27,30)/t16-/m0/s1

InChI Key

DJVJPOONXGHFMP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04010152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

6.063

Water Solubility, LogSw

-5.47

Polar Surface Area

65.967

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D068-0007 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D068-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0007?
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What is the minimum amount of D068-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0007
  • 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 D068-0007 available by request