V029-4787 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

V029-4787 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
V029-4787 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4787
2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]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

V029-4787

Molecular Formula

C30H34FN3O5S (C30 H34 FN3 O5 S)

Compound Name

2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c(CN(CC2CC2)C(c(cccc2)c2F)=O)cc1

InChI

InChI=1S/C30H34FN3O5S/c1-4-33(5-2)25-15-12-23(20-34(19-22-10-11-22)30(36)27-8-6-7-9-28(27)31)29(18-25)39-40(37,38)26-16-13-24(14-17-26)32-21(3)35/h6-9,12-18,22H,4-5,10-11,19-20H2,1-3H3,(H,32,35)

InChI Key

YUWMFLAQWSNVML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499466

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.64

Polar Surface Area

78.547

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V029-4787 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V029-4787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4787?
Check Price and Availability of V029-4787, 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 V029-4787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4787
  • 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 V029-4787 available by request