8018-0129 Screening compound: 3-bromo-N~1~-{2-[(2-chlorophenyl)(hydroxy)methyl]-4,5-dimethoxyphenyl}benzamide

8018-0129 Screening compound: 3-bromo-N~1~-{2-[(2-chlorophenyl)(hydroxy)methyl]-4,5-dimethoxyphenyl}benzamide
8018-0129 Screening compound: 3-bromo-N~1~-{2-[(2-chlorophenyl)(hydroxy)methyl]-4,5-dimethoxyphenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0129
3-bromo-N~1~-{2-[(2-chlorophenyl)(hydroxy)methyl]-4,5-dimethoxyphenyl}benzamide

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

8018-0129

Molecular Formula

C22H19BrClNO4 (C22 H19 BrClNO4)

Compound Name

3-bromo-N~1~-{2-[(2-chlorophenyl)(hydroxy)methyl]-4,5-dimethoxyphenyl}benzamide

IUPAC name

3-bromo-N-{2-[(2-chlorophenyl)(hydroxy)methyl]-45-dimethoxyphenyl}benzamide

SMILES

COc(c(OC)c1)cc(C(c(cccc2)c2Cl)O)c1NC(c1cccc(Br)c1)=O

InChI

InChI=1S/C22H19BrClNO4/c1-28-19-11-16(21(26)15-8-3-4-9-17(15)24)18(12-20(19)29-2)25-22(27)13-6-5-7-14(23)10-13/h3-12,21,26H,1-2H3,(H,25,27)/t21-/m0/s1

InChI Key

FLBGOYBDMNADJN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07021872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.69

Polar Surface Area

53.306

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

8018-0129 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 8018-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0129?
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What is the minimum amount of 8018-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0129
  • 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 8018-0129 available by request