3616-2123 Screening compound: 1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea

3616-2123 Screening compound: 1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea
3616-2123 Screening compound: 1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-2123
1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea

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

3616-2123

Molecular Formula

C19H12ClN3O2S2 (C19 H12 ClN3 O2 S2)

Compound Name

1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[5-(13-benzothiazol-2-yl)-2-chlorophenyl]-3-(furan-2-carbonyl)thiourea

SMILES

O=C(c1ccco1)NC(Nc(cc(cc1)-c2nc(cccc3)c3s2)c1Cl)=S

InChI

InChI=1S/C19H12ClN3O2S2/c20-12-8-7-11(18-21-13-4-1-2-6-16(13)27-18)10-14(12)22-19(26)23-17(24)15-5-3-9-25-15/h1-10H,(H2,22,23,24,26)

InChI Key

QRNQXIYWCRABPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.404

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-6.08

Polar Surface Area

50.569

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3616-2123 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3616-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-2123?
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What is the minimum amount of 3616-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-2123
  • 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 3616-2123 available by request