V030-5885 Screening compound: 2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

V030-5885 Screening compound: 2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
V030-5885 Screening compound: 2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5885
2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

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

V030-5885

Molecular Formula

C27H38N4O5S (C27 H38 N4 O5 S)

Compound Name

2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

2-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c(CN(CC2CC2)C(NC(C)C)=O)cc1

InChI

InChI=1S/C27H38N4O5S/c1-6-30(7-2)24-13-10-22(18-31(17-21-8-9-21)27(33)28-19(3)4)26(16-24)36-37(34,35)25-14-11-23(12-15-25)29-20(5)32/h10-16,19,21H,6-9,17-18H2,1-5H3,(H,28,33)(H,29,32)

InChI Key

VWVSOCRZTQTAJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499472

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.24

Polar Surface Area

87.936

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

V030-5885 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V030-5885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5885?
Check Price and Availability of V030-5885, 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 V030-5885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5885
  • 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 V030-5885 available by request