D388-0898 Screening compound: 5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

D388-0898 Screening compound: 5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide
D388-0898 Screening compound: 5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0898
5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

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

D388-0898

Molecular Formula

C18H21BrN2O2 (C18 H21 BrN2 O2)

Compound Name

5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

IUPAC name

5-bromo-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

SMILES

Cc1ccc(C(CNC(c(o2)ccc2Br)=O)N2CCCC2)cc1

InChI

InChI=1S/C18H21BrN2O2/c1-13-4-6-14(7-5-13)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)23-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)/t15-/m0/s1

InChI Key

LEMOPESJSZRVKI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD12919714

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

377.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-3.38

Polar Surface Area

36.933

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D388-0898 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D388-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0898?
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What is the minimum amount of D388-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0898
  • 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 D388-0898 available by request