4514-1488 Screening compound: 4-(2-{[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide

4514-1488 Screening compound: 4-(2-{[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide
4514-1488 Screening compound: 4-(2-{[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1488
4-(2-{[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide

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

4514-1488

Molecular Formula

C19H20ClN3O4S (C19 H20 ClN3 O4 S)

Compound Name

4-(2-{[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide

IUPAC name

4-(2-{[1-(3-chloro-4-methylphenyl)-25-dioxopyrrolidin-3-yl]amino}ethyl)benzene-1-sulfonamide

SMILES

Cc(ccc(N(C(CC1NCCc(cc2)ccc2S(N)(=O)=O)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-12-2-5-14(10-16(12)20)23-18(24)11-17(19(23)25)22-9-8-13-3-6-15(7-4-13)28(21,26)27/h2-7,10,17,22H,8-9,11H2,1H3,(H2,21,26,27)/t17-/m1/s1

InChI Key

XXTCHQYCFPCHIN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01829982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.823

Distribution Coefficient, logD

0.822

Water Solubility, LogSw

-2.87

Polar Surface Area

91.354

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

4514-1488 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4514-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1488?
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What is the minimum amount of 4514-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1488
  • 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 4514-1488 available by request