3389-2045 Screening compound: (E)-N-(4,6-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine

3389-2045 Screening compound: (E)-N-(4,6-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine
3389-2045 Screening compound: (E)-N-(4,6-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2045
(E)-N-(4,6-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine

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

3389-2045

Molecular Formula

C17H16N6O4S (C17 H16 N6 O4 S)

Compound Name

(E)-N-(4,6-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine

IUPAC name

(E)-N-(46-dimethylquinazolin-2-yl)-N''-(4-nitrobenzenesulfonyl)guanidine

SMILES

Cc1ccc2nc(N/C(/N)=N/S(c(cc3)ccc3[N+]([O-])=O)(=O)=O)nc(C)c2c1

InChI

InChI=1S/C17H16N6O4S/c1-10-3-8-15-14(9-10)11(2)19-17(20-15)21-16(18)22-28(26,27)13-6-4-12(5-7-13)23(24)25/h3-9H,1-2H3,(H3,18,19,20,21,22)

InChI Key

UJYCWQCCAMAXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.44

Polar Surface Area

123.048

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3389-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2045?
Check Price and Availability of 3389-2045, 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 3389-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2045
  • 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 3389-2045 available by request