4880-0611 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]thiourea

4880-0611 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]thiourea
4880-0611 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4880-0611
1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]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

4880-0611

Molecular Formula

C23H20N4O3S (C23 H20 N4 O3 S)

Compound Name

1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]thiourea

IUPAC name

1-[4-(propan-2-yloxy)benzoyl]-3-[2-(pyridin-3-yl)-13-benzoxazol-5-yl]thiourea

SMILES

CC(C)Oc(cc1)ccc1C(NC(Nc(cc1)cc2c1oc(-c1cnccc1)n2)=S)=O

InChI

InChI=1S/C23H20N4O3S/c1-14(2)29-18-8-5-15(6-9-18)21(28)27-23(31)25-17-7-10-20-19(12-17)26-22(30-20)16-4-3-11-24-13-16/h3-14H,1-2H3,(H2,25,27,28,31)

InChI Key

RBGDPORMPVVDID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02821318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

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

4.210

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.10

Polar Surface Area

66.370

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 4880-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4880-0611?
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What is the minimum amount of 4880-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4880-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4880-0611
  • 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 4880-0611 available by request