4269-1652 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-pentanoylthiourea

4269-1652 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-pentanoylthiourea
4269-1652 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-pentanoylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4269-1652
1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-pentanoylthiourea

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

4269-1652

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(NC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=S)=O

InChI

InChI=1S/C20H21N3O3S/c1-3-4-9-18(24)23-20(27)22-15-12-13(10-11-16(15)25-2)19-21-14-7-5-6-8-17(14)26-19/h5-8,10-12H,3-4,9H2,1-2H3,(H2,22,23,24,27)

InChI Key

FQRILWIHXUYUCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.34

Polar Surface Area

57.041

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4269-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4269-1652?
Check Price and Availability of 4269-1652, 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 4269-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4269-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4269-1652
  • 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 4269-1652 available by request