G545-1040 Screening compound: methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-carboxylate

G545-1040 Screening compound: methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-carboxylate
G545-1040 Screening compound: methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-1040
methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-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

G545-1040

Molecular Formula

C25H25FN4O4S (C25 H25 FN4 O4 S)

Compound Name

methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[(5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(Nc(cc(cc1)C(NCc2cc(F)ccc2)=O)c1N1CCCC1)=O)=O

InChI

InChI=1S/C25H25FN4O4S/c1-34-24(32)22-19(9-12-35-22)28-25(33)29-20-14-17(7-8-21(20)30-10-2-3-11-30)23(31)27-15-16-5-4-6-18(26)13-16/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,27,31)(H2,28,29,33)

InChI Key

CXJZHDLEDISVFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.42

Polar Surface Area

81.269

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G545-1040 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G545-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-1040?
Check Price and Availability of G545-1040, 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 G545-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-1040
  • 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 G545-1040 available by request