D392-0657 Screening compound: 5-(3,4-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0657 Screening compound: 5-(3,4-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0657 Screening compound: 5-(3,4-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0657
5-(3,4-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

D392-0657

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

5-(3,4-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(34-diethoxyphenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc(ccc(C(CC(N1)=O)C2=C1N(C)C(SCc1cc(C)ccc1)=NC2=O)c1)c1OCC

InChI

InChI=1S/C26H29N3O4S/c1-5-32-20-11-10-18(13-21(20)33-6-2)19-14-22(30)27-24-23(19)25(31)28-26(29(24)4)34-15-17-9-7-8-16(3)12-17/h7-13,19H,5-6,14-15H2,1-4H3,(H,27,30)/t19-/m0/s1

InChI Key

XFNNEDXBWASDKV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27583060

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

3.596

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.77

Polar Surface Area

64.502

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D392-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0657?
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What is the minimum amount of D392-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0657
  • 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 D392-0657 available by request