V018-0951 Screening compound: N~1~-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-{sec-butyl[(butylamino)carbonyl]amino}-N~1~-cyclohexylacetamide

V018-0951 Screening compound: N~1~-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-{sec-butyl[(butylamino)carbonyl]amino}-N~1~-cyclohexylacetamide
V018-0951 Screening compound: N~1~-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-{sec-butyl[(butylamino)carbonyl]amino}-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0951
N~1~-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-{sec-butyl[(butylamino)carbonyl]amino}-N~1~-cyclohexylacetamide

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

V018-0951

Molecular Formula

C29H44N4O2 (C29 H44 N4 O2)

Compound Name

N~1~-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-{sec-butyl[(butylamino)carbonyl]amino}-N~1~-cyclohexylacetamide

IUPAC name

N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-2-[(butan-2-yl)(butylcarbamoyl)amino]-N-cyclohexylacetamide

SMILES

CCCCNC(N(CC(N(Cc1cccn1Cc1ccccc1)C1CCCCC1)=O)C(C)CC)=O

InChI

InChI=1S/C29H44N4O2/c1-4-6-19-30-29(35)32(24(3)5-2)23-28(34)33(26-16-11-8-12-17-26)22-27-18-13-20-31(27)21-25-14-9-7-10-15-25/h7,9-10,13-15,18,20,24,26H,4-6,8,11-12,16-17,19,21-23H2,1-3H3,(H,30,35)/t24-/m0/s1

InChI Key

TXZXWYMNFDCKRF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19735888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.61

Polar Surface Area

43.032

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

V018-0951 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V018-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0951?
Check Price and Availability of V018-0951, 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 V018-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0951
  • 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 V018-0951 available by request