K953-0374 Screening compound: N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0374 Screening compound: N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0374 Screening compound: N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0374
N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

K953-0374

Molecular Formula

C17H15ClN2O2S (C17 H15 ClN2 O2 S)

Compound Name

N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(5-chloro-2-methylphenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

Cc(ccc(Cl)c1)c1NC(CCN(c(cccc1)c1O1)C1=S)=O

InChI

InChI=1S/C17H15ClN2O2S/c1-11-6-7-12(18)10-13(11)19-16(21)8-9-20-14-4-2-3-5-15(14)22-17(20)23/h2-7,10H,8-9H2,1H3,(H,19,21)

InChI Key

OZYUYXAOFQKSOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.35

Polar Surface Area

32.305

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K953-0374 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K953-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0374?
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What is the minimum amount of K953-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0374
  • 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 K953-0374 available by request