D444-0697 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

D444-0697 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide
D444-0697 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0697
N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-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

D444-0697

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(24-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

SMILES

CCc1cc(C(c(ccc(OC)c2)c2OC)Nc2ncccc2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C25H25N3O4S/c1-4-17-15-19(25(33-17)28-24(29)20-8-7-13-32-20)23(27-22-9-5-6-12-26-22)18-11-10-16(30-2)14-21(18)31-3/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/t23-/m1/s1

InChI Key

PXQZIFGVDWVGNL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27586621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-4.98

Polar Surface Area

65.807

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D444-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0697?
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What is the minimum amount of D444-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0697
  • 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 D444-0697 available by request