3908-2232 Screening compound: N4,N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine

3908-2232 Screening compound: N4,N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
3908-2232 Screening compound: N4,N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3908-2232
N4,N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine

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

3908-2232

Molecular Formula

C20H21N5O4 (C20 H21 N5 O4)

Compound Name

N4,N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine

IUPAC name

N4N6-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-46-diamine

SMILES

COc1ccc(CNc2ncnc(NCc(cc3)ccc3OC)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C20H21N5O4/c1-28-16-7-3-14(4-8-16)11-21-19-18(25(26)27)20(24-13-23-19)22-12-15-5-9-17(29-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H2,21,22,23,24)

InChI Key

HQRAOUKTXJGATQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00338986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.54

Polar Surface Area

89.664

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3908-2232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3908-2232?
Check Price and Availability of 3908-2232, 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 3908-2232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3908-2232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3908-2232
  • 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 3908-2232 available by request