V013-1234 Screening compound: 1-(3-chloro-2,2-dimethylpropanoyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide

V013-1234 Screening compound: 1-(3-chloro-2,2-dimethylpropanoyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide
V013-1234 Screening compound: 1-(3-chloro-2,2-dimethylpropanoyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1234
1-(3-chloro-2,2-dimethylpropanoyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide

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

V013-1234

Molecular Formula

C24H34ClN3O4 (C24 H34 ClN3 O4)

Compound Name

1-(3-chloro-2,2-dimethylpropanoyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide

IUPAC name

(2S)-1-(3-chloro-22-dimethylpropanoyl)-N-[(1r4r)-4-(4-methoxybenzamido)cyclohexyl]pyrrolidine-2-carboxamide

SMILES

CC(C)(CCl)C(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C24H34ClN3O4/c1-24(2,15-25)23(31)28-14-4-5-20(28)22(30)27-18-10-8-17(9-11-18)26-21(29)16-6-12-19(32-3)13-7-16/h6-7,12-13,17-18,20H,4-5,8-11,14-15H2,1-3H3,(H,26,29)(H,27,30)/t17?,18?,20-/m0/s1

InChI Key

ZGPLBPKKLOJBNV-QLOJAFMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.28

Polar Surface Area

72.847

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

V013-1234 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 V013-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1234?
Check Price and Availability of V013-1234, 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 V013-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1234
  • 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 V013-1234 available by request