6282-0111 Screening compound: 1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

6282-0111 Screening compound: 1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea
6282-0111 Screening compound: 1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6282-0111
1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

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

6282-0111

Molecular Formula

C23H19ClN4O3S (C23 H19 ClN4 O3 S)

Compound Name

1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

IUPAC name

1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(2-methyl-4-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)thiourea

SMILES

Cc(cc(cc1)-c2nc(nccc3)c3o2)c1NC(NC(COc(cc1)c(C)cc1Cl)=O)=S

InChI

InChI=1S/C23H19ClN4O3S/c1-13-10-15(22-28-21-19(31-22)4-3-9-25-21)5-7-17(13)26-23(32)27-20(29)12-30-18-8-6-16(24)11-14(18)2/h3-11H,12H2,1-2H3,(H2,26,27,29,32)

InChI Key

WCPWLFJODQXUAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03922602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

5.356

Water Solubility, LogSw

-5.95

Polar Surface Area

67.099

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

6282-0111 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6282-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6282-0111?
Check Price and Availability of 6282-0111, 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 6282-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6282-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6282-0111
  • 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 6282-0111 available by request