1612-0996 Screening compound: (2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide

1612-0996 Screening compound: (2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide
1612-0996 Screening compound: (2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1612-0996
(2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-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

1612-0996

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

(2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide

IUPAC name

(2Z)-6-hexyl-7-hydroxy-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide

SMILES

CCCCCCc(c(O)c1)cc(C=C2C(N)=O)c1O/C2=N\c(cccc1)c1OC

InChI

InChI=1S/C23H26N2O4/c1-3-4-5-6-9-15-12-16-13-17(22(24)27)23(29-21(16)14-19(15)26)25-18-10-7-8-11-20(18)28-2/h7-8,10-14,26H,3-6,9H2,1-2H3,(H2,24,27)

InChI Key

SQHJNYLWHLPMAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01594537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.38

Polar Surface Area

73.485

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

1612-0996 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1612-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1612-0996?
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What is the minimum amount of 1612-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1612-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1612-0996
  • 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 1612-0996 available by request