7571-0938 Screening compound: N-(2,5-dimethoxyphenyl)-2-({7,7-dimethyl-2-phenyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl}sulfanyl)acetamide

7571-0938 Screening compound: N-(2,5-dimethoxyphenyl)-2-({7,7-dimethyl-2-phenyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl}sulfanyl)acetamide
7571-0938 Screening compound: N-(2,5-dimethoxyphenyl)-2-({7,7-dimethyl-2-phenyl-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7571-0938
N-(2,5-dimethoxyphenyl)-2-({7,7-dimethyl-2-phenyl-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

7571-0938

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-({77-dimethyl-2-phenyl-5H7H8H-pyrano[43-d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

CC(C)(C1)OCc2c1nc(-c1ccccc1)nc2SCC(Nc(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C25H27N3O4S/c1-25(2)13-20-18(14-32-25)24(28-23(27-20)16-8-6-5-7-9-16)33-15-22(29)26-19-12-17(30-3)10-11-21(19)31-4/h5-12H,13-15H2,1-4H3,(H,26,29)

InChI Key

LXXMIDHGDLZKKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03694175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

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

5.216

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.11

Polar Surface Area

65.142

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

7571-0938 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 7571-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7571-0938?
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What is the minimum amount of 7571-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7571-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7571-0938
  • 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 7571-0938 available by request