4261-0011 Screening compound: N-[6-(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidin-4-yl]-N,N-dimethylamine

4261-0011 Screening compound: N-[6-(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidin-4-yl]-N,N-dimethylamine
4261-0011 Screening compound: N-[6-(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidin-4-yl]-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4261-0011
N-[6-(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidin-4-yl]-N,N-dimethylamine

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

4261-0011

Molecular Formula

C19H19N7O3 (C19 H19 N7 O3)

Compound Name

N-[6-(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidin-4-yl]-N,N-dimethylamine

IUPAC name

N7N7N11N11-tetramethyl-9-(4-nitrophenyl)-2-oxa-461214-tetraazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3571113-hexaene-711-diamine

SMILES

CN(C)c1ncnc2c1C(c(cc1)ccc1[N+]([O-])=O)c(c(N(C)C)ncn1)c1O2

InChI

InChI=1S/C19H19N7O3/c1-24(2)16-14-13(11-5-7-12(8-6-11)26(27)28)15-17(25(3)4)21-10-23-19(15)29-18(14)22-9-20-16/h5-10,13H,1-4H3

InChI Key

OVSWFOUMJPIOAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

-1.671

Water Solubility, LogSw

-3.75

Polar Surface Area

87.095

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4261-0011 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 4261-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4261-0011?
Check Price and Availability of 4261-0011, 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 4261-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4261-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4261-0011
  • 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 4261-0011 available by request