4477-1340 Screening compound: 3-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-1-(3,4-dichlorophenyl)urea

4477-1340 Screening compound: 3-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-1-(3,4-dichlorophenyl)urea
4477-1340 Screening compound: 3-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-1-(3,4-dichlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1340
3-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-1-(3,4-dichlorophenyl)urea

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

4477-1340

Molecular Formula

C15H11Cl2N5O2 (C15 H11 Cl2 N5 O2)

Compound Name

3-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-1-(3,4-dichlorophenyl)urea

IUPAC name

3-[(E)-amino[(13-benzoxazol-2-yl)amino]methylidene]-1-(34-dichlorophenyl)urea

SMILES

N/C(/Nc1nc(cccc2)c2o1)=N\C(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C15H11Cl2N5O2/c16-9-6-5-8(7-10(9)17)19-14(23)21-13(18)22-15-20-11-3-1-2-4-12(11)24-15/h1-7H,(H4,18,19,20,21,22,23)

InChI Key

QPUDDHJULUIPOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

-1.770

Water Solubility, LogSw

-4.28

Polar Surface Area

79.974

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4477-1340 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 4477-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1340?
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What is the minimum amount of 4477-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1340
  • 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 4477-1340 available by request