8014-8372 Screening compound: methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

8014-8372 Screening compound: methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
8014-8372 Screening compound: methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8372
methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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

8014-8372

Molecular Formula

C32H33N3O4S2 (C32 H33 N3 O4 S2)

Compound Name

methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}formamido)methanethioyl]amino}-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carboxylate

SMILES

CC(C)Oc1cccc(-c2nc3ccccc3c(C(NC(Nc3c(C(OC)=O)c(CCCCCC4)c4s3)=S)=O)c2)c1

InChI

InChI=1S/C32H33N3O4S2/c1-19(2)39-21-12-10-11-20(17-21)26-18-24(22-13-8-9-15-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-14-6-4-5-7-16-27(23)41-30/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)

InChI Key

SZDYYUPWYXARLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.302

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-5.96

Polar Surface Area

69.321

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

8014-8372 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-8372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8372?
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What is the minimum amount of 8014-8372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8372
  • 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 8014-8372 available by request