D491-9179 Screening compound: 5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)furan-2-carboxamide

D491-9179 Screening compound: 5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)furan-2-carboxamide
D491-9179 Screening compound: 5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9179
5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)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

D491-9179

Molecular Formula

C19H18BrN3O2 (C19 H18 BrN3 O2)

Compound Name

5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)furan-2-carboxamide

IUPAC name

5-bromo-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)furan-2-carboxamide

SMILES

CN(C)c1ccc(CN(C(c(o2)ccc2Br)=O)c2ncccc2)cc1

InChI

InChI=1S/C19H18BrN3O2/c1-22(2)15-8-6-14(7-9-15)13-23(18-5-3-4-12-21-18)19(24)16-10-11-17(20)25-16/h3-12H,13H2,1-2H3

InChI Key

VNDBKQMHZLJMJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.30

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D491-9179 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-9179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9179?
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What is the minimum amount of D491-9179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9179
  • 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 D491-9179 available by request