1621-1653 Screening compound: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile

1621-1653 Screening compound: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile
1621-1653 Screening compound: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1621-1653
(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile

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

1621-1653

Molecular Formula

C25H20BrN3O3S (C25 H20 BrN3 O3 S)

Compound Name

(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile

IUPAC name

(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile

SMILES

CCCCOc1cccc(N/C=C(\c2nc(C3=Cc(cc(cc4)Br)c4OC3=O)cs2)/C#N)c1

InChI

InChI=1S/C25H20BrN3O3S/c1-2-3-9-31-20-6-4-5-19(12-20)28-14-17(13-27)24-29-22(15-33-24)21-11-16-10-18(26)7-8-23(16)32-25(21)30/h4-8,10-12,14-15,28H,2-3,9H2,1H3

InChI Key

XIFCPPKPGKHOTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.694

Distribution Coefficient, logD

6.694

Water Solubility, LogSw

-5.61

Polar Surface Area

66.697

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

1621-1653 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 1621-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1621-1653?
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What is the minimum amount of 1621-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1621-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1621-1653
  • 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 1621-1653 available by request