V012-1781 Screening compound: 2,2-dichloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

V012-1781 Screening compound: 2,2-dichloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide
V012-1781 Screening compound: 2,2-dichloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1781
2,2-dichloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

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

V012-1781

Molecular Formula

C22H27Cl2N3O5S (C22 H27 Cl2 N3 O5 S)

Compound Name

2,2-dichloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

IUPAC name

22-dichloro-N-(3-{[2-(34-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

SMILES

COc(ccc(CCNS(c(cc(cc1)NC(C(Cl)Cl)=O)c1N1CCCC1)(=O)=O)c1)c1OC

InChI

InChI=1S/C22H27Cl2N3O5S/c1-31-18-8-5-15(13-19(18)32-2)9-10-25-33(29,30)20-14-16(26-22(28)21(23)24)6-7-17(20)27-11-3-4-12-27/h5-8,13-14,21,25H,3-4,9-12H2,1-2H3,(H,26,28)

InChI Key

KTEMWPUMJNWNIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972419

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-4.06

Polar Surface Area

83.979

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V012-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1781?
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What is the minimum amount of V012-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1781
  • 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 V012-1781 available by request