5594-1199 Screening compound: N-[(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene]butanamide

5594-1199 Screening compound: N-[(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene]butanamide
5594-1199 Screening compound: N-[(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-1199
N-[(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene]butanamide

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

5594-1199

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

N-[(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene]butanamide

IUPAC name

N-[(E)-amino[(467-trimethylquinazolin-2-yl)amino]methylidene]butanamide

SMILES

CCCC(/N=C(\N)/Nc1nc2cc(C)c(C)cc2c(C)n1)=O

InChI

InChI=1S/C16H21N5O/c1-5-6-14(22)20-15(17)21-16-18-11(4)12-7-9(2)10(3)8-13(12)19-16/h7-8H,5-6H2,1-4H3,(H3,17,18,19,20,21,22)

InChI Key

GJUHOLWPTNKDTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-3.50

Polar Surface Area

72.423

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5594-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-1199?
Check Price and Availability of 5594-1199, 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 5594-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-1199
  • 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 5594-1199 available by request