3821-1942 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)thiourea

3821-1942 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)thiourea
3821-1942 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3821-1942
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)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

3821-1942

Molecular Formula

C23H19N3O3S (C23 H19 N3 O3 S)

Compound Name

3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)thiourea

IUPAC name

3-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-methylbenzoyl)thiourea

SMILES

Cc1cccc(C(NC(Nc(cc(cc2)-c3nc(cccc4)c4o3)c2OC)=S)=O)c1

InChI

InChI=1S/C23H19N3O3S/c1-14-6-5-7-15(12-14)21(27)26-23(30)25-18-13-16(10-11-19(18)28-2)22-24-17-8-3-4-9-20(17)29-22/h3-13H,1-2H3,(H2,25,26,27,30)

InChI Key

ZNFXTDZQVYCOJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.354

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-5.46

Polar Surface Area

56.983

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3821-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3821-1942?
Check Price and Availability of 3821-1942, 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 3821-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3821-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3821-1942
  • 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 3821-1942 available by request