8014-7327 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

8014-7327 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
8014-7327 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7327
N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

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

8014-7327

Molecular Formula

C31H23ClN4O2S3 (C31 H23 ClN4 O2 S3)

Compound Name

N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-13-thiazol-2-yl}-3-({4-oxo-35-diphenyl-3H4H-thieno[23-d]pyrimidin-2-yl}sulfanyl)propanamide

SMILES

O=C(CCSC(N1c2ccccc2)=Nc(scc2-c3ccccc3)c2C1=O)Nc1ncc(Cc(cc2)ccc2Cl)s1

InChI

InChI=1S/C31H23ClN4O2S3/c32-22-13-11-20(12-14-22)17-24-18-33-30(41-24)34-26(37)15-16-39-31-35-28-27(25(19-40-28)21-7-3-1-4-8-21)29(38)36(31)23-9-5-2-6-10-23/h1-14,18-19H,15-17H2,(H,33,34,37)

InChI Key

HWKAIXJZLOLHPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.470

Distribution Coefficient, logD

7.467

Water Solubility, LogSw

-6.57

Polar Surface Area

58.236

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.68

8014-7327 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8014-7327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7327?
Check Price and Availability of 8014-7327, 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 8014-7327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7327
  • 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 8014-7327 available by request