V025-5871 Screening compound: 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

V025-5871 Screening compound: 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
V025-5871 Screening compound: 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5871
2-{[N-(butan-2-yl)-3-methylbutanamido]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

V025-5871

Molecular Formula

C28H41N3O5S (C28 H41 N3 O5 S)

Compound Name

2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CCC(C)N(Cc(ccc(N(CC)CC)c1)c1OS(c(cc1)ccc1NC(C)=O)(=O)=O)C(CC(C)C)=O

InChI

InChI=1S/C28H41N3O5S/c1-8-21(6)31(28(33)17-20(4)5)19-23-11-14-25(30(9-2)10-3)18-27(23)36-37(34,35)26-15-12-24(13-16-26)29-22(7)32/h11-16,18,20-21H,8-10,17,19H2,1-7H3,(H,29,32)/t21-/m0/s1

InChI Key

PMXOAULWEMSQME-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19791346

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-5.07

Polar Surface Area

77.368

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V025-5871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5871?
Check Price and Availability of V025-5871, 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 V025-5871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5871
  • 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 V025-5871 available by request