8017-8436 Screening compound: 6,8-dichloro-N~3~-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-carboxamide

8017-8436 Screening compound: 6,8-dichloro-N~3~-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-carboxamide
8017-8436 Screening compound: 6,8-dichloro-N~3~-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8436
6,8-dichloro-N~3~-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-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

8017-8436

Molecular Formula

C21H15Cl2N3O3 (C21 H15 Cl2 N3 O3)

Compound Name

6,8-dichloro-N~3~-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-carboxamide

IUPAC name

68-dichloro-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

CC(c(cc1)ccc1-n1cncc1)NC(C1=Cc2cc(Cl)cc(Cl)c2OC1=O)=O

InChI

InChI=1S/C21H15Cl2N3O3/c1-12(13-2-4-16(5-3-13)26-7-6-24-11-26)25-20(27)17-9-14-8-15(22)10-18(23)19(14)29-21(17)28/h2-12H,1H3,(H,25,27)/t12-/m0/s1

InChI Key

GTHNIOFPGVTREK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06618636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.44

Polar Surface Area

57.146

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.52

8017-8436 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8436?
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What is the minimum amount of 8017-8436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8436
  • 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 8017-8436 available by request