D444-0052 Screening compound: N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

D444-0052 Screening compound: N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide
D444-0052 Screening compound: N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0052
N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-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

D444-0052

Molecular Formula

C22H18BrN3O2S (C22 H18 BrN3 O2 S)

Compound Name

N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(4-bromophenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

SMILES

Cc1cc(C(c(cc2)ccc2Br)Nc2ncccc2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C22H18BrN3O2S/c1-14-13-17(22(29-14)26-21(27)18-5-4-12-28-18)20(15-7-9-16(23)10-8-15)25-19-6-2-3-11-24-19/h2-13,20H,1H3,(H,24,25)(H,26,27)/t20-/m1/s1

InChI Key

NYFLKFSZZUCMMM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27586343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.46

Polar Surface Area

50.632

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D444-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0052?
Check Price and Availability of D444-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D444-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0052
  • 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 D444-0052 available by request