8012-3621 Screening compound: methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

8012-3621 Screening compound: methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate
8012-3621 Screening compound: methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3621
methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

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

8012-3621

Molecular Formula

C19H16ClF5N2O5 (C19 H16 ClF5 N2 O5)

Compound Name

methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

IUPAC name

methyl 2-{[4-(chlorodifluoromethoxy)phenyl]amino}-333-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

SMILES

COC(C(C(F)(F)F)(NC(c(cc1)ccc1OC)=O)Nc(cc1)ccc1OC(F)(F)Cl)=O

InChI

InChI=1S/C19H16ClF5N2O5/c1-30-13-7-3-11(4-8-13)15(28)27-17(16(29)31-2,18(21,22)23)26-12-5-9-14(10-6-12)32-19(20,24)25/h3-10,26H,1-2H3,(H,27,28)/t17-/m0/s1

InChI Key

UCWQPMZLBWGABC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02934829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-4.92

Polar Surface Area

68.742

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8012-3621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3621?
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What is the minimum amount of 8012-3621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3621
  • 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 8012-3621 available by request