F285-0690 Screening compound: propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate

F285-0690 Screening compound: propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
F285-0690 Screening compound: propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F285-0690
propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[2,3-b]pyrrole-5-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

F285-0690

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

propan-2-yl 6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CCOC(c(cc1)ccc1NC(Cn1c(scc2)c2cc1C(OC(C)C)=O)=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-4-27-20(25)14-5-7-16(8-6-14)22-18(24)12-23-17(21(26)28-13(2)3)11-15-9-10-29-19(15)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)

InChI Key

NKOYSBNHPFYXIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.72

Polar Surface Area

65.882

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F285-0690 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F285-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F285-0690?
Check Price and Availability of F285-0690, 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 F285-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F285-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F285-0690
  • 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 F285-0690 available by request