0075-0046 Screening compound: N-{7-chloro-2-[(E)-2-phenyl-1-ethenyl]-4-quinazolinyl}-N-[4-(diethylamino)-1-methylbutyl]amine

0075-0046 Screening compound: N-{7-chloro-2-[(E)-2-phenyl-1-ethenyl]-4-quinazolinyl}-N-[4-(diethylamino)-1-methylbutyl]amine
0075-0046 Screening compound: N-{7-chloro-2-[(E)-2-phenyl-1-ethenyl]-4-quinazolinyl}-N-[4-(diethylamino)-1-methylbutyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0075-0046
N-{7-chloro-2-[(E)-2-phenyl-1-ethenyl]-4-quinazolinyl}-N-[4-(diethylamino)-1-methylbutyl]amine

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

0075-0046

Molecular Formula

C25H31ClN4 (C25 H31 ClN4)

Compound Name

N-{7-chloro-2-[(E)-2-phenyl-1-ethenyl]-4-quinazolinyl}-N-[4-(diethylamino)-1-methylbutyl]amine

IUPAC name

7-chloro-N-[5-(diethylamino)pentan-2-yl]-2-[(1E)-2-phenylethenyl]quinazolin-4-amine

SMILES

CCN(CC)CCCC(C)Nc1c(ccc(Cl)c2)c2nc(/C=C/c2ccccc2)n1

InChI

InChI=1S/C25H31ClN4/c1-4-30(5-2)17-9-10-19(3)27-25-22-15-14-21(26)18-23(22)28-24(29-25)16-13-20-11-7-6-8-12-20/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,27,28,29)/t19-/m0/s1

InChI Key

JOQGBAQMZAEQDR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00220372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.732

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-6.56

Polar Surface Area

33.242

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

0075-0046 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0075-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0075-0046?
Check Price and Availability of 0075-0046, 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 0075-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0075-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0075-0046
  • 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 0075-0046 available by request