2956-0030 Screening compound: ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate

2956-0030 Screening compound: ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate
2956-0030 Screening compound: ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2956-0030
ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate

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

2956-0030

Molecular Formula

C22H18BrNO3 (C22 H18 BrNO3)

Compound Name

ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate

IUPAC name

ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate

SMILES

CCOC(C(C1c(cc2)ccc2Br)=C(N)Oc2c1c1ccccc1cc2)=O

InChI

InChI=1S/C22H18BrNO3/c1-2-26-22(25)20-18(14-7-10-15(23)11-8-14)19-16-6-4-3-5-13(16)9-12-17(19)27-21(20)24/h3-12,18H,2,24H2,1H3/t18-/m1/s1

InChI Key

YHNBICCLYFMPHG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00715865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-6.43

Polar Surface Area

49.720

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 2956-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2956-0030?
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What is the minimum amount of 2956-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2956-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2956-0030
  • 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 2956-0030 available by request