V008-4549 Screening compound: ethyl 4-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate

V008-4549 Screening compound: ethyl 4-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
V008-4549 Screening compound: ethyl 4-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4549
ethyl 4-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate

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

V008-4549

Molecular Formula

C31H32ClNO4S (C31 H32 ClNO4 S)

Compound Name

ethyl 4-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1OC(CC1CC2)CC2N1C(c1ccc(CSCc(cccc2)c2Cl)cc1)=O)=O

InChI

InChI=1S/C31H32ClNO4S/c1-2-36-31(35)23-11-15-27(16-12-23)37-28-17-25-13-14-26(18-28)33(25)30(34)22-9-7-21(8-10-22)19-38-20-24-5-3-4-6-29(24)32/h3-12,15-16,25-26,28H,2,13-14,17-20H2,1H3

InChI Key

MYLHUFFLQNDBDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

5.575

Water Solubility, LogSw

-5.87

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

V008-4549 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V008-4549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4549?
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What is the minimum amount of V008-4549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4549
  • 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 V008-4549 available by request