2144-1003 Screening compound: 9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

2144-1003 Screening compound: 9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
2144-1003 Screening compound: 9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-1003
9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-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

2144-1003

Molecular Formula

C31H32ClIO5 (C31 H32 ClIO5)

Compound Name

9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4OC)cc(I)c4OCc(cc4)ccc4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C31H32ClIO5/c1-30(2)12-21(34)27-24(14-30)38-25-15-31(3,4)13-22(35)28(25)26(27)18-10-20(33)29(23(11-18)36-5)37-16-17-6-8-19(32)9-7-17/h6-11,26H,12-16H2,1-5H3

InChI Key

UTRHWVVFDOOYPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.059

Distribution Coefficient, logD

7.059

Water Solubility, LogSw

-6.42

Polar Surface Area

48.429

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

2144-1003 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 2144-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-1003?
Check Price and Availability of 2144-1003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2144-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-1003
  • 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 2144-1003 available by request