V013-2549 Screening compound: 3,3-DIMETHYL-N-{2-[(1-PROPYL-1H-1,3-BENZODIAZOL-2-YL)AMINO]ETHYL}BUTANAMIDE

V013-2549 Screening compound: 3,3-DIMETHYL-N-{2-[(1-PROPYL-1H-1,3-BENZODIAZOL-2-YL)AMINO]ETHYL}BUTANAMIDE
V013-2549 Screening compound: 3,3-DIMETHYL-N-{2-[(1-PROPYL-1H-1,3-BENZODIAZOL-2-YL)AMINO]ETHYL}BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2549
3,3-DIMETHYL-N-{2-[(1-PROPYL-1H-1,3-BENZODIAZOL-2-YL)AMINO]ETHYL}BUTANAMIDE

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

V013-2549

Molecular Formula

C18H28N4O (C18 H28 N4 O)

Compound Name

3,3-DIMETHYL-N-{2-[(1-PROPYL-1H-1,3-BENZODIAZOL-2-YL)AMINO]ETHYL}BUTANAMIDE

IUPAC name

n/a

SMILES

CCCn1c(NCCNC(CC(C)(C)C)=O)nc2c1cccc2

InChI

InChI=1S/C18H28N4O/c1-5-12-22-15-9-7-6-8-14(15)21-17(22)20-11-10-19-16(23)13-18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,19,23)(H,20,21)

InChI Key

IYMPJTZJDUODKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968902

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

316.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.41

Polar Surface Area

46.985

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V013-2549 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V013-2549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2549?
Check Price and Availability of V013-2549, 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 V013-2549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2549
  • 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 V013-2549 available by request