D053-0251 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

D053-0251 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide
D053-0251 Screening compound: 5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0251
5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-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

D053-0251

Molecular Formula

C20H19ClN4O5S2 (C20 H19 ClN4 O5 S2)

Compound Name

5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4567-tetrahydro-1-benzothiophen-2-yl)-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CS(c(nc1)nc(C(Nc2c(C(NCc3ccco3)=O)c(CCCC3)c3s2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C20H19ClN4O5S2/c1-32(28,29)20-23-10-13(21)16(24-20)18(27)25-19-15(12-6-2-3-7-14(12)31-19)17(26)22-9-11-5-4-8-30-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,26)(H,25,27)

InChI Key

PCGCDSLGIBBIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.98

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

2.981

Distribution Coefficient, logD

-1.182

Water Solubility, LogSw

-3.80

Polar Surface Area

104.369

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D053-0251 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 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

References: we are preparing a list of scientific research reports with D053-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0251?
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What is the minimum amount of D053-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0251
  • 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 D053-0251 available by request