D149-0006 Screening compound: 9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

D149-0006 Screening compound: 9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
D149-0006 Screening compound: 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 D149-0006
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

D149-0006

Molecular Formula

C18H16N4O4S (C18 H16 N4 O4 S)

Compound Name

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

IUPAC name

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)NC2=O)c2s2)c2n1

InChI

InChI=1S/C18H16N4O4S/c1-9-7-11(8-26-2)13-14-15(27-18(13)19-9)17(23)21-16(20-14)10-3-5-12(6-4-10)22(24)25/h3-7,16,20H,8H2,1-2H3,(H,21,23)/t16-/m1/s1

InChI Key

OSZYYKFCIXWCFD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14812783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.92

Polar Surface Area

85.457

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D149-0006 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D149-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D149-0006?
Check Price and Availability of D149-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D149-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D149-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D149-0006
  • 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 D149-0006 available by request