3341-1603 Screening compound: 2-chloro-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine

3341-1603 Screening compound: 2-chloro-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
3341-1603 Screening compound: 2-chloro-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1603
2-chloro-N4-[(furan-2-yl)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

3341-1603

Molecular Formula

C9H8ClN5O3 (C9 H8 ClN5 O3)

Compound Name

2-chloro-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine

IUPAC name

2-chloro-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-46-diamine

SMILES

Nc1nc(Cl)nc(NCc2ccco2)c1[N+]([O-])=O

InChI

InChI=1S/C9H8ClN5O3/c10-9-13-7(11)6(15(16)17)8(14-9)12-4-5-2-1-3-18-5/h1-3H,4H2,(H3,11,12,13,14)

InChI Key

OURRLEMXAVABEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02252587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.72

Polar Surface Area

90.643

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3341-1603 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3341-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-1603?
Check Price and Availability of 3341-1603, 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 3341-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1603
  • 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 3341-1603 available by request