8018-8034 Screening compound: N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl}thieno[2,3-b]pyridin-3-yl]benzamide

8018-8034 Screening compound: N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl}thieno[2,3-b]pyridin-3-yl]benzamide
8018-8034 Screening compound: N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl}thieno[2,3-b]pyridin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8034
N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl}thieno[2,3-b]pyridin-3-yl]benzamide

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

8018-8034

Molecular Formula

C30H29N3O2S (C30 H29 N3 O2 S)

Compound Name

N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl}thieno[2,3-b]pyridin-3-yl]benzamide

IUPAC name

N-[4-(methoxymethyl)-6-methyl-2-{4'H-spiro[cyclopentane-13'-isoquinolin]-1'-yl}thieno[23-b]pyridin-3-yl]benzamide

SMILES

Cc1cc(COC)c(c(NC(c2ccccc2)=O)c(C2=NC3(CCCC3)Cc3c2cccc3)s2)c2n1

InChI

InChI=1S/C30H29N3O2S/c1-19-16-22(18-35-2)24-26(32-28(34)20-10-4-3-5-11-20)27(36-29(24)31-19)25-23-13-7-6-12-21(23)17-30(33-25)14-8-9-15-30/h3-7,10-13,16H,8-9,14-15,17-18H2,1-2H3,(H,32,34)

InChI Key

AKTIXMHIZKQNEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.14

Polar Surface Area

48.569

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8018-8034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8034?
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What is the minimum amount of 8018-8034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8034
  • 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 8018-8034 available by request