F404-0029 Screening compound: methyl 2-{5-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

F404-0029 Screening compound: methyl 2-{5-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
F404-0029 Screening compound: methyl 2-{5-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0029
methyl 2-{5-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

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

F404-0029

Molecular Formula

C20H17F2N3O4 (C20 H17 F2 N3 O4)

Compound Name

methyl 2-{5-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate

IUPAC name

methyl 2-(5-{[(34-difluorophenyl)carbamoyl]methyl}-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

COC(CC(Nc(cccc1)c1N1CC(Nc(cc2)cc(F)c2F)=O)=CC1=O)=O

InChI

InChI=1S/C20H17F2N3O4/c1-29-20(28)10-13-9-19(27)25(17-5-3-2-4-16(17)23-13)11-18(26)24-12-6-7-14(21)15(22)8-12/h2-9,23H,10-11H2,1H3,(H,24,26)

InChI Key

LCMHCMHUQOHSIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-3.34

Polar Surface Area

71.304

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with F404-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0029?
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What is the minimum amount of F404-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0029
  • 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 F404-0029 available by request