8018-1639 Screening compound: 4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

8018-1639 Screening compound: 4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate
8018-1639 Screening compound: 4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1639
4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-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

8018-1639

Molecular Formula

C17H19N3O4S3 (C17 H19 N3 O4 S3)

Compound Name

4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

IUPAC name

4-(2-acetamido-3-oxobutyl)phenyl 2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetate

SMILES

CC(C(Cc(cc1)ccc1OC(CSc1nc(SC)ns1)=O)NC(C)=O)=O

InChI

InChI=1S/C17H19N3O4S3/c1-10(21)14(18-11(2)22)8-12-4-6-13(7-5-12)24-15(23)9-26-17-19-16(25-3)20-27-17/h4-7,14H,8-9H2,1-3H3,(H,18,22)/t14-/m0/s1

InChI Key

JPIXTMLIQJKDAX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07023063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.72

Polar Surface Area

76.964

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

8018-1639 in Drug Discovery

Included in Screening Libraries

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
  • 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 8018-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1639?
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What is the minimum amount of 8018-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1639
  • 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 8018-1639 available by request