V013-0262 Screening compound: N,N-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide

V013-0262 Screening compound: N,N-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide
V013-0262 Screening compound: N,N-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0262
N,N-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]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

V013-0262

Molecular Formula

C34H42N4O3 (C34 H42 N4 O3)

Compound Name

N,N-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide

IUPAC name

NN-diethyl-5-(4-methylbenzamido)-2-[4-(2-phenylbutanoyl)-14-diazepan-1-yl]benzamide

SMILES

CCC(C(N(CCC1)CCN1c(ccc(NC(c1ccc(C)cc1)=O)c1)c1C(N(CC)CC)=O)=O)c1ccccc1

InChI

InChI=1S/C34H42N4O3/c1-5-29(26-12-9-8-10-13-26)33(40)38-21-11-20-37(22-23-38)31-19-18-28(24-30(31)34(41)36(6-2)7-3)35-32(39)27-16-14-25(4)15-17-27/h8-10,12-19,24,29H,5-7,11,20-23H2,1-4H3,(H,35,39)/t29-/m1/s1

InChI Key

SXLZANVNKHOMDP-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD13268201

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.691

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.44

Polar Surface Area

59.200

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.20

V013-0262 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V013-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0262?
Check Price and Availability of V013-0262, 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 V013-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0262
  • 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 V013-0262 available by request