CM4573-5528 Screening compound: {(2S)-4,4-difluoro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

CM4573-5528 Screening compound: {(2S)-4,4-difluoro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone
CM4573-5528 Screening compound: {(2S)-4,4-difluoro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-5528
{(2S)-4,4-difluoro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

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

CM4573-5528

Molecular Formula

C17H25F2N3O2 (C17 H25 F2 N3 O2)

Compound Name

{(2S)-4,4-difluoro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

IUPAC name

n/a

SMILES

Cc(occ1)c1C(N(C1)[C@H](CN2CCN(C)CCC2)CC1(F)F)=O

InChI

InChI=1S/C17H25F2N3O2/c1-13-15(4-9-24-13)16(23)22-12-17(18,19)10-14(22)11-21-6-3-5-20(2)7-8-21/h4,9,14H,3,5-8,10-12H2,1-2H3/t14-/m1/s1

InChI Key

VLDUVIYIXGOMJW-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

0.835

Water Solubility, LogSw

-2.12

Polar Surface Area

32.605

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

References: we are preparing a list of scientific research reports with CM4573-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-5528?
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What is the minimum amount of CM4573-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-5528
  • 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 CM4573-5528 available by request