C989-0391 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide

C989-0391 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide
C989-0391 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0391
N~1~-(4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide

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

C989-0391

Molecular Formula

C17H18N4O5S2 (C17 H18 N4 O5 S2)

Compound Name

N~1~-(4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide

IUPAC name

n/a

SMILES

Cc1csc(NC(CN(c(ccc(S(N2CCCC2)(=O)=O)c2)c2O2)C2=O)=O)n1

InChI

InChI=1S/C17H18N4O5S2/c1-11-10-27-16(18-11)19-15(22)9-21-13-5-4-12(8-14(13)26-17(21)23)28(24,25)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19,22)

InChI Key

ZTPANPABWJLUTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-3.00

Polar Surface Area

88.146

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C989-0391 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C989-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0391?
Check Price and Availability of C989-0391, 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 C989-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0391
  • 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 C989-0391 available by request