D149-0165 Screening compound: 3-benzyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

D149-0165 Screening compound: 3-benzyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
D149-0165 Screening compound: 3-benzyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D149-0165
3-benzyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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

D149-0165

Molecular Formula

C25H22N4O4S (C25 H22 N4 O4 S)

Compound Name

3-benzyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

5-benzyl-13-(methoxymethyl)-11-methyl-4-(4-nitrophenyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraen-6-one

SMILES

Cc1cc(COC)c(c(NC(c(cc2)ccc2[N+]([O-])=O)N(Cc2ccccc2)C2=O)c2s2)c2n1

InChI

InChI=1S/C25H22N4O4S/c1-15-12-18(14-33-2)20-21-22(34-24(20)26-15)25(30)28(13-16-6-4-3-5-7-16)23(27-21)17-8-10-19(11-9-17)29(31)32/h3-12,23,27H,13-14H2,1-2H3/t23-/m1/s1

InChI Key

GGFIXYMROQMCCC-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14812802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.52

Polar Surface Area

76.423

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D149-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D149-0165?
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What is the minimum amount of D149-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D149-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D149-0165
  • 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 D149-0165 available by request