3391-6866 Screening compound: N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide

3391-6866 Screening compound: N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide
3391-6866 Screening compound: N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6866
N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide

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

3391-6866

Molecular Formula

C18H16ClN5O2 (C18 H16 ClN5 O2)

Compound Name

N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide

IUPAC name

N-[(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene]-2-(4-chlorophenoxy)acetamide

SMILES

Cc1nc(N/C(/N)=N/C(COc(cc2)ccc2Cl)=O)nc2ccccc12

InChI

InChI=1S/C18H16ClN5O2/c1-11-14-4-2-3-5-15(14)22-18(21-11)24-17(20)23-16(25)10-26-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H3,20,21,22,23,24,25)

InChI Key

DFJRYMKVRORHED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-3.49

Polar Surface Area

79.650

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3391-6866 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3391-6866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6866?
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What is the minimum amount of 3391-6866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6866
  • 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 3391-6866 available by request