4984-5180 Screening compound: 9-(3-chloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

4984-5180 Screening compound: 9-(3-chloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
4984-5180 Screening compound: 9-(3-chloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4984-5180
9-(3-chloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

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

4984-5180

Molecular Formula

C23H26ClNO3 (C23 H26 ClNO3)

Compound Name

9-(3-chloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-(3-chloro-4-hydroxyphenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(NC(CC(C)(C)C2)=C(C3c(cc4)cc(Cl)c4O)C2=O)=C3C1=O

InChI

InChI=1S/C23H26ClNO3/c1-22(2)8-14-20(17(27)10-22)19(12-5-6-16(26)13(24)7-12)21-15(25-14)9-23(3,4)11-18(21)28/h5-7,19,25-26H,8-11H2,1-4H3

InChI Key

CUSOHXPMGYAPBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

-0.086

Water Solubility, LogSw

-4.15

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

4984-5180 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4984-5180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4984-5180?
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What is the minimum amount of 4984-5180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4984-5180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4984-5180
  • 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 4984-5180 available by request