3448-9430 Screening compound: 2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3448-9430 Screening compound: 2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3448-9430 Screening compound: 2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-9430
2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-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

3448-9430

Molecular Formula

C20H20N4O5 (C20 H20 N4 O5)

Compound Name

2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

NC(OC(CCC1)=C(C2c(cc3)cc([N+]([O-])=O)c3N3CCOCC3)C1=O)=C2C#N

InChI

InChI=1S/C20H20N4O5/c21-11-13-18(19-16(25)2-1-3-17(19)29-20(13)22)12-4-5-14(15(10-12)24(26)27)23-6-8-28-9-7-23/h4-5,10,18H,1-3,6-9,22H2/t18-/m1/s1

InChI Key

YNPUXPIQPRMPQT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02642903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.16

Polar Surface Area

103.743

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3448-9430 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-9430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-9430?
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What is the minimum amount of 3448-9430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-9430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-9430
  • 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 3448-9430 available by request