1845-0016 Screening compound: 2-amino-4-(2-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

1845-0016 Screening compound: 2-amino-4-(2-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
1845-0016 Screening compound: 2-amino-4-(2-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1845-0016
2-amino-4-(2-bromophenyl)-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

1845-0016

Molecular Formula

C16H13BrN2O2 (C16 H13 BrN2 O2)

Compound Name

2-amino-4-(2-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(2-bromophenyl)-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

NC(OC(CCC1)=C(C2c(cccc3)c3Br)C1=O)=C2C#N

InChI

InChI=1S/C16H13BrN2O2/c17-11-5-2-1-4-9(11)14-10(8-18)16(19)21-13-7-3-6-12(20)15(13)14/h1-2,4-5,14H,3,6-7,19H2/t14-/m1/s1

InChI Key

MQDSODDFIFKHHC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01156912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.524

Distribution Coefficient, logD

2.524

Water Solubility, LogSw

-2.79

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 1845-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1845-0016?
Check Price and Availability of 1845-0016, 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 1845-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1845-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1845-0016
  • 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 1845-0016 available by request