E544-0757 Screening compound: [4-[(2,5-dimethylbenzyl)sulfanyl]-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

E544-0757 Screening compound: [4-[(2,5-dimethylbenzyl)sulfanyl]-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
E544-0757 Screening compound: [4-[(2,5-dimethylbenzyl)sulfanyl]-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0757
[4-[(2,5-dimethylbenzyl)sulfanyl]-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

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

E544-0757

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

[4-[(2,5-dimethylbenzyl)sulfanyl]-2-(4-ethylphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

IUPAC name

(7-{[(25-dimethylphenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-11-yl)methanol

SMILES

CCc(cc1)ccc1-c1nc(Oc2c(C3)c(CO)cnc2C)c3c(SCc2c(C)ccc(C)c2)n1

InChI

InChI=1S/C29H29N3O2S/c1-5-20-8-10-21(11-9-20)27-31-28-25(13-24-23(15-33)14-30-19(4)26(24)34-28)29(32-27)35-16-22-12-17(2)6-7-18(22)3/h6-12,14,33H,5,13,15-16H2,1-4H3

InChI Key

FFORKMVNCUWVJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

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

7.688

Distribution Coefficient, logD

7.685

Water Solubility, LogSw

-5.64

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

E544-0757 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E544-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0757?
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What is the minimum amount of E544-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0757
  • 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 E544-0757 available by request