V013-9057 Screening compound: N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide

V013-9057 Screening compound: N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide
V013-9057 Screening compound: N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9057
N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide

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

V013-9057

Molecular Formula

C24H28FN3O3S2 (C24 H28 FN3 O3 S2)

Compound Name

N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide

IUPAC name

N-(3-{[N-(butan-2-yl)4-fluorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)thiophene-2-carboxamide

SMILES

CCC(C)N(Cc(cc(cc1)NC(c2cccs2)=O)c1N(C)C)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C24H28FN3O3S2/c1-5-17(2)28(33(30,31)21-11-8-19(25)9-12-21)16-18-15-20(10-13-22(18)27(3)4)26-24(29)23-7-6-14-32-23/h6-15,17H,5,16H2,1-4H3,(H,26,29)/t17-/m0/s1

InChI Key

NMIGWLWHTVGLRX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19801780

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.38

Polar Surface Area

58.594

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

V013-9057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-9057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9057?
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What is the minimum amount of V013-9057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9057
  • 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 V013-9057 available by request