5055-7264 Screening compound: N~1~-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}benzamide

5055-7264 Screening compound: N~1~-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}benzamide
5055-7264 Screening compound: N~1~-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7264
N~1~-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}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

5055-7264

Molecular Formula

C23H19N3O2S (C23 H19 N3 O2 S)

Compound Name

N~1~-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}benzamide

IUPAC name

N-[4-({10-methyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-yl}oxy)phenyl]benzamide

SMILES

Cc1nc(Oc(cc2)ccc2NC(c2ccccc2)=O)c(c(CCC2)c2s2)c2n1

InChI

InChI=1S/C23H19N3O2S/c1-14-24-22(20-18-8-5-9-19(18)29-23(20)25-14)28-17-12-10-16(11-13-17)26-21(27)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,26,27)

InChI Key

ZRNCCOIEHYSHMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.48

Polar Surface Area

50.410

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5055-7264 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5055-7264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7264?
Check Price and Availability of 5055-7264, 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 5055-7264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7264
  • 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 5055-7264 available by request