C244-0041 Screening compound: ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

C244-0041 Screening compound: ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
C244-0041 Screening compound: ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C244-0041
ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

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

C244-0041

Molecular Formula

C24H29BrN4O3S (C24 H29 BrN4 O3 S)

Compound Name

ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(4-bromophenyl)-4H-124-triazol-3-yl)sulfanyl]acetate

SMILES

CCOC(CSc1nnc(CNC(C2(CC(C3)C4)CC4CC3C2)=O)n1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C24H29BrN4O3S/c1-2-32-21(30)14-33-23-28-27-20(29(23)19-5-3-18(25)4-6-19)13-26-22(31)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,15-17H,2,7-14H2,1H3,(H,26,31)

InChI Key

IFCBRWYHVJINHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.49

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

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.22

Polar Surface Area

70.837

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

C244-0041 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C244-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C244-0041?
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What is the minimum amount of C244-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C244-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C244-0041
  • 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 C244-0041 available by request