8009-5898 Screening compound: N~1~-(3-bromophenyl)-2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxamide

8009-5898 Screening compound: N~1~-(3-bromophenyl)-2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxamide
8009-5898 Screening compound: N~1~-(3-bromophenyl)-2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5898
N~1~-(3-bromophenyl)-2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxamide

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

8009-5898

Molecular Formula

C24H22BrNO3 (C24 H22 BrNO3)

Compound Name

N~1~-(3-bromophenyl)-2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxamide

IUPAC name

N-(3-bromophenyl)-22-bis(3-methoxyphenyl)cyclopropane-1-carboxamide

SMILES

COc1cccc(C(C2)(C2C(Nc2cccc(Br)c2)=O)c2cc(OC)ccc2)c1

InChI

InChI=1S/C24H22BrNO3/c1-28-20-10-3-6-16(12-20)24(17-7-4-11-21(13-17)29-2)15-22(24)23(27)26-19-9-5-8-18(25)14-19/h3-14,22H,15H2,1-2H3,(H,26,27)/t22-/m1/s1

InChI Key

MXHBPDOGJCSNQG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01822057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.987

Distribution Coefficient, logD

5.820

Water Solubility, LogSw

-5.56

Polar Surface Area

38.397

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8009-5898 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5898?
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What is the minimum amount of 8009-5898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5898
  • 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 8009-5898 available by request