8005-2613 Screening compound: 2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile

8005-2613 Screening compound: 2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile
8005-2613 Screening compound: 2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2613
2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile

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

8005-2613

Molecular Formula

C23H16N4O4 (C23 H16 N4 O4)

Compound Name

2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile

IUPAC name

2-amino-5-hydroxy-4-(4-nitrophenyl)-8-[(Z)-(phenylimino)methyl]-4H-chromene-3-carbonitrile

SMILES

NC(Oc1c(C2c(cc3)ccc3[N+]([O-])=O)c(O)ccc1/C=N\c1ccccc1)=C2C#N

InChI

InChI=1S/C23H16N4O4/c24-12-18-20(14-6-9-17(10-7-14)27(29)30)21-19(28)11-8-15(22(21)31-23(18)25)13-26-16-4-2-1-3-5-16/h1-11,13,20,28H,25H2/t20-/m1/s1

InChI Key

HTDQNAWXGHZHOG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00747889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-3.93

Polar Surface Area

104.035

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.30

8005-2613 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8005-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2613?
Check Price and Availability of 8005-2613, 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 8005-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2613
  • 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 8005-2613 available by request