V008-9624 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

V008-9624 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
V008-9624 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9624
2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

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

V008-9624

Molecular Formula

C23H28BrN3O4S2 (C23 H28 BrN3 O4 S2)

Compound Name

2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-{[(2-bromophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-13-benzodiazole

SMILES

CCOCCCn1c(SCc(cccc2)c2Br)nc2c1ccc(S(N1CCOCC1)(=O)=O)c2

InChI

InChI=1S/C23H28BrN3O4S2/c1-2-30-13-5-10-27-22-9-8-19(33(28,29)26-11-14-31-15-12-26)16-21(22)25-23(27)32-17-18-6-3-4-7-20(18)24/h3-4,6-9,16H,2,5,10-15,17H2,1H3

InChI Key

QPLOIHJPXFEEKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958530

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.57

Polar Surface Area

58.324

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V008-9624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9624?
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What is the minimum amount of V008-9624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9624
  • 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 V008-9624 available by request