8018-9920 Screening compound: 1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea

8018-9920 Screening compound: 1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea
8018-9920 Screening compound: 1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9920
1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]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

8018-9920

Molecular Formula

C22H16ClIN2O4 (C22 H16 ClIN2 O4)

Compound Name

1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea

IUPAC name

1-(3-chlorophenyl)-3-[7-(2-iodobenzoyl)-23-dihydro-14-benzodioxin-6-yl]urea

SMILES

O=C(c(cccc1)c1I)c(cc1OCCOc1c1)c1NC(Nc1cc(Cl)ccc1)=O

InChI

InChI=1S/C22H16ClIN2O4/c23-13-4-3-5-14(10-13)25-22(28)26-18-12-20-19(29-8-9-30-20)11-16(18)21(27)15-6-1-2-7-17(15)24/h1-7,10-12H,8-9H2,(H2,25,26,28)

InChI Key

IEWGBVPPNJMHPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-5.07

Polar Surface Area

61.134

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8018-9920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9920?
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What is the minimum amount of 8018-9920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9920
  • 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 8018-9920 available by request