8016-0290 Screening compound: N~1~-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-methoxy-2,3,5-trimethyl-1-benzenesulfonamide

8016-0290 Screening compound: N~1~-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-methoxy-2,3,5-trimethyl-1-benzenesulfonamide
8016-0290 Screening compound: N~1~-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-methoxy-2,3,5-trimethyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0290
N~1~-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-methoxy-2,3,5-trimethyl-1-benzenesulfonamide

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

8016-0290

Molecular Formula

C22H25ClF2N2O4S (C22 H25 ClF2 N2 O4 S)

Compound Name

N~1~-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-methoxy-2,3,5-trimethyl-1-benzenesulfonamide

IUPAC name

N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-4-methoxy-235-trimethylbenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c(cc2C)c(C)c(C)c2OC)(=O)=O)c(cc(cc2)OC(F)(F)Cl)c2[nH]1

InChI

InChI=1S/C22H25ClF2N2O4S/c1-12-10-20(13(2)14(3)21(12)30-5)32(28,29)26-9-8-17-15(4)27-19-7-6-16(11-18(17)19)31-22(23,24)25/h6-7,10-11,26-27H,8-9H2,1-5H3

InChI Key

ZUOHAZWXSWPXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-6.02

Polar Surface Area

65.979

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8016-0290 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8016-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0290?
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What is the minimum amount of 8016-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0290
  • 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 8016-0290 available by request