D053-0256 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

D053-0256 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide
D053-0256 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0256
5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

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

D053-0256

Molecular Formula

C19H17ClN4O5S2 (C19 H17 ClN4 O5 S2)

Compound Name

5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4H5H6H-cyclopenta[b]thiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CS(c(nc1)nc(C(Nc2c(C(NCc3ccco3)=O)c(CCC3)c3s2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C19H17ClN4O5S2/c1-31(27,28)19-22-9-12(20)15(23-19)17(26)24-18-14(11-5-2-6-13(11)30-18)16(25)21-8-10-4-3-7-29-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,21,25)(H,24,26)

InChI Key

IOUWTIQSNYMNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

-1.613

Water Solubility, LogSw

-3.49

Polar Surface Area

104.735

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D053-0256 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D053-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0256?
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What is the minimum amount of D053-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0256
  • 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 D053-0256 available by request