V012-9816 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide

V012-9816 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide
V012-9816 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9816
2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide

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

V012-9816

Molecular Formula

C29H32ClN3O3 (C29 H32 ClN3 O3)

Compound Name

2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide

IUPAC name

2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl]benzamide

SMILES

Cc1cccc(C(N(CC2OCCC2)Cc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2N(C)C)=O)c1

InChI

InChI=1S/C29H32ClN3O3/c1-20-8-6-9-21(16-20)29(35)33(19-24-10-7-15-36-24)18-22-17-23(13-14-27(22)32(2)3)31-28(34)25-11-4-5-12-26(25)30/h4-6,8-9,11-14,16-17,24H,7,10,15,18-19H2,1-3H3,(H,31,34)/t24-/m1/s1

InChI Key

SCZSCNZDDGESJZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19799968

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.83

Polar Surface Area

50.427

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V012-9816 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V012-9816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9816?
Check Price and Availability of V012-9816, 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 V012-9816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9816
  • 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 V012-9816 available by request