V002-5812 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate

V002-5812 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate
V002-5812 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5812
4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate

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

V002-5812

Molecular Formula

C17H24ClNO5S (C17 H24 ClNO5 S)

Compound Name

4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate

IUPAC name

4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl methanesulfonate

SMILES

CC(C)C(N(CC1OCCC1)Cc(cc(cc1)Cl)c1OS(C)(=O)=O)=O

InChI

InChI=1S/C17H24ClNO5S/c1-12(2)17(20)19(11-15-5-4-8-23-15)10-13-9-14(18)6-7-16(13)24-25(3,21)22/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3/t15-/m1/s1

InChI Key

OQPJLTHPDZPXJH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19787927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.19

Polar Surface Area

61.339

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

V002-5812 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V002-5812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5812?
Check Price and Availability of V002-5812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-5812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5812
  • 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 V002-5812 available by request