4478-2604 Screening compound: methyl 2-(5-{[3-(methoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

4478-2604 Screening compound: methyl 2-(5-{[3-(methoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
4478-2604 Screening compound: methyl 2-(5-{[3-(methoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-2604
methyl 2-(5-{[3-(methoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H,5H,6H-cyclopenta[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

4478-2604

Molecular Formula

C24H28N2O6S2 (C24 H28 N2 O6 S2)

Compound Name

methyl 2-(5-{[3-(methoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-(5-{[3-(methoxycarbonyl)-4H5H6H-cyclopenta[b]thiophen-2-yl]carbamoyl}pentanamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(CCCCC(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C24H28N2O6S2/c1-31-23(29)19-13-7-5-9-15(13)33-21(19)25-17(27)11-3-4-12-18(28)26-22-20(24(30)32-2)14-8-6-10-16(14)34-22/h3-12H2,1-2H3,(H,25,27)(H,26,28)

InChI Key

MHGCACNARSBZHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

0.098

Water Solubility, LogSw

-3.55

Polar Surface Area

88.775

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4478-2604 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4478-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-2604?
Check Price and Availability of 4478-2604, 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 4478-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-2604
  • 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 4478-2604 available by request