C790-0725 Screening compound: N4,N6-bis(4-methanesulfonylphenyl)-5-nitropyrimidine-4,6-diamine

C790-0725 Screening compound: N4,N6-bis(4-methanesulfonylphenyl)-5-nitropyrimidine-4,6-diamine
C790-0725 Screening compound: N4,N6-bis(4-methanesulfonylphenyl)-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0725
N4,N6-bis(4-methanesulfonylphenyl)-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

C790-0725

Molecular Formula

C18H17N5O6S2 (C18 H17 N5 O6 S2)

Compound Name

N4,N6-bis(4-methanesulfonylphenyl)-5-nitropyrimidine-4,6-diamine

IUPAC name

N4N6-bis(4-methanesulfonylphenyl)-5-nitropyrimidine-46-diamine

SMILES

CS(c(cc1)ccc1Nc(ncnc1Nc(cc2)ccc2S(C)(=O)=O)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C18H17N5O6S2/c1-30(26,27)14-7-3-12(4-8-14)21-17-16(23(24)25)18(20-11-19-17)22-13-5-9-15(10-6-13)31(2,28)29/h3-11H,1-2H3,(H2,19,20,21,22)

InChI Key

JOQHNRHODQXVAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.67

Polar Surface Area

131.430

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C790-0725 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C790-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0725?
Check Price and Availability of C790-0725, 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 C790-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0725
  • 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 C790-0725 available by request