3822-1963 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(5-chloro-2-methoxybenzoyl)thiourea

3822-1963 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(5-chloro-2-methoxybenzoyl)thiourea
3822-1963 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(5-chloro-2-methoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3822-1963
1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(5-chloro-2-methoxybenzoyl)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

3822-1963

Molecular Formula

C23H18ClN3O4S (C23 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1C(NC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=S)=O

InChI

InChI=1S/C23H18ClN3O4S/c1-29-18-10-8-14(24)12-15(18)21(28)27-23(32)26-17-11-13(7-9-19(17)30-2)22-25-16-5-3-4-6-20(16)31-22/h3-12H,1-2H3,(H2,26,27,28,32)

InChI Key

UISNFKHDGKKQES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

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

5.646

Distribution Coefficient, logD

5.627

Water Solubility, LogSw

-5.92

Polar Surface Area

64.613

Acid Dissociation Constant (pKa)

8.75

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 3822-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3822-1963?
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What is the minimum amount of 3822-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3822-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3822-1963
  • 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 3822-1963 available by request