8010-7549 Screening compound: ethyl 2-({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-3,3,3-trifluoropropanoate

8010-7549 Screening compound: ethyl 2-({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-3,3,3-trifluoropropanoate
8010-7549 Screening compound: ethyl 2-({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7549
ethyl 2-({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-3,3,3-trifluoropropanoate

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

8010-7549

Molecular Formula

C20H19ClF3N3O4S (C20 H19 ClF3 N3 O4 S)

Compound Name

ethyl 2-({3-carbamoyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-({3-carbamoyl-4H5H6H-cyclopenta[b]thiophen-2-yl}amino)-2-[(3-chlorophenyl)formamido]-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c1cccc(Cl)c1)=O)Nc1c(C(N)=O)c(CCC2)c2s1)=O

InChI

InChI=1S/C20H19ClF3N3O4S/c1-2-31-18(30)19(20(22,23)24,26-16(29)10-5-3-6-11(21)9-10)27-17-14(15(25)28)12-7-4-8-13(12)32-17/h3,5-6,9,27H,2,4,7-8H2,1H3,(H2,25,28)(H,26,29)/t19-/m1/s1

InChI Key

RHWZPBQQSXDQMI-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-4.12

Polar Surface Area

88.420

Acid Dissociation Constant (pKa)

5.28

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8010-7549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7549?
Check Price and Availability of 8010-7549, 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 8010-7549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7549
  • 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 8010-7549 available by request