1935-0198 Screening compound: 5-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-2-chlorobenzoic acid

1935-0198 Screening compound: 5-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-2-chlorobenzoic acid
1935-0198 Screening compound: 5-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1935-0198
5-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-2-chlorobenzoic acid

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

1935-0198

Molecular Formula

C42H30ClNO7 (C42 H30 ClNO7)

Compound Name

5-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-2-chlorobenzoic acid

IUPAC name

5-[89-bis(4-methoxyphenyl)-3510-trioxo-17-diphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl]-2-chlorobenzoic acid

SMILES

COc(cc1)ccc1C(C(C(C(C12c3ccccc3)C(N3c(cc4)cc(C(O)=O)c4Cl)=O)C3=O)(C2=O)c2ccccc2)=C1c(cc1)ccc1OC

InChI

InChI=1S/C42H30ClNO7/c1-50-29-18-13-24(14-19-29)33-34(25-15-20-30(51-2)21-16-25)42(27-11-7-4-8-12-27)36-35(41(33,40(42)49)26-9-5-3-6-10-26)37(45)44(38(36)46)28-17-22-32(43)31(23-28)39(47)48/h3-23,35-36H,1-2H3,(H,47,48)

InChI Key

BOQDIKNILWFWLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00750683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

696.16

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.103

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-5.95

Polar Surface Area

85.280

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-11.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

14.30

1935-0198 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 1935-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1935-0198?
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What is the minimum amount of 1935-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1935-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1935-0198
  • 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 1935-0198 available by request