C648-0178 Screening compound: ethyl 2-(2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-1,3-thiazol-4-yl)acetate

C648-0178 Screening compound: ethyl 2-(2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-1,3-thiazol-4-yl)acetate
C648-0178 Screening compound: ethyl 2-(2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0178
ethyl 2-(2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-1,3-thiazol-4-yl)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

C648-0178

Molecular Formula

C21H24N4O7S2 (C21 H24 N4 O7 S2)

Compound Name

ethyl 2-(2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-(2-{1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}-13-thiazol-4-yl)acetate

SMILES

CCOC(Cc1csc(NC(C(CCC2)CN2S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)n1)=O

InChI

InChI=1S/C21H24N4O7S2/c1-3-31-18(26)9-14-12-33-20(22-14)23-19(27)13-5-4-8-25(11-13)34(29,30)15-6-7-16-17(10-15)32-21(28)24(16)2/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,22,23,27)/t13-/m0/s1

InChI Key

GJNSRYCJVBUIMB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14779181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.58

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-2.92

Polar Surface Area

108.540

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C648-0178 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C648-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0178?
Check Price and Availability of C648-0178, 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 C648-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0178
  • 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 C648-0178 available by request