1825-0037 Screening compound: 2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl diphenyl phosphate

1825-0037 Screening compound: 2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl diphenyl phosphate
1825-0037 Screening compound: 2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl diphenyl phosphate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1825-0037
2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl diphenyl phosphate

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

1825-0037

Molecular Formula

C21H16Cl2F3O4P (C21 H16 Cl2 F3 O4 P)

Compound Name

2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl diphenyl phosphate

IUPAC name

22-dichloro-333-trifluoro-1-phenylpropyl diphenyl phosphate

SMILES

O=P(OC(C(C(F)(F)F)(Cl)Cl)c1ccccc1)(Oc1ccccc1)Oc1ccccc1

InChI

InChI=1S/C21H16Cl2F3O4P/c22-20(23,21(24,25)26)19(16-10-4-1-5-11-16)30-31(27,28-17-12-6-2-7-13-17)29-18-14-8-3-9-15-18/h1-15,19H/t19-/m1/s1

InChI Key

LKMJZAJMOTZCRV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00337744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.277

Distribution Coefficient, logD

6.277

Water Solubility, LogSw

-6.59

Polar Surface Area

37.315

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

1825-0037 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1825-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1825-0037?
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What is the minimum amount of 1825-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1825-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1825-0037
  • 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 1825-0037 available by request