5091-0987 Screening compound: (6Z)-6-({4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5091-0987 Screening compound: (6Z)-6-({4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5091-0987 Screening compound: (6Z)-6-({4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5091-0987
(6Z)-6-({4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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

5091-0987

Molecular Formula

C24H23N3O3S (C24 H23 N3 O3 S)

Compound Name

(6Z)-6-({4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[3-(25-dimethylphenoxy)propoxy]phenyl}methylidene)-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(OCCCOc2ccc(/C=C(/C(N(C=CS3)C3=N3)=N)\C3=O)cc2)c(C)cc1

InChI

InChI=1S/C24H23N3O3S/c1-16-4-5-17(2)21(14-16)30-12-3-11-29-19-8-6-18(7-9-19)15-20-22(25)27-10-13-31-24(27)26-23(20)28/h4-10,13-15,25H,3,11-12H2,1-2H3

InChI Key

ZQQYZGQBBFAKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.21

Polar Surface Area

57.321

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

5091-0987 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 5091-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5091-0987?
Check Price and Availability of 5091-0987, 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 5091-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5091-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5091-0987
  • 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 5091-0987 available by request