D232-0430 Screening compound: 2-bromo-N-[(oxolan-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

D232-0430 Screening compound: 2-bromo-N-[(oxolan-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
D232-0430 Screening compound: 2-bromo-N-[(oxolan-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D232-0430
2-bromo-N-[(oxolan-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]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

D232-0430

Molecular Formula

C22H26BrNO5 (C22 H26 BrNO5)

Compound Name

2-bromo-N-[(oxolan-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

IUPAC name

2-bromo-N-[(oxolan-2-yl)methyl]-N-[(345-trimethoxyphenyl)methyl]benzamide

SMILES

COc1cc(CN(CC2OCCC2)C(c(cccc2)c2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C22H26BrNO5/c1-26-19-11-15(12-20(27-2)21(19)28-3)13-24(14-16-7-6-10-29-16)22(25)17-8-4-5-9-18(17)23/h4-5,8-9,11-12,16H,6-7,10,13-14H2,1-3H3/t16-/m1/s1

InChI Key

RAEHSZXLMIAKAD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08548948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.33

Polar Surface Area

47.810

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D232-0430 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 D232-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D232-0430?
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What is the minimum amount of D232-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D232-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D232-0430
  • 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 D232-0430 available by request